potassium (2'E)-2'-[(E)-3-[3,3-dimethyl-5-(methylcarbamoylamino)-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3',3'-dimethyl-5'-(methylcarbamoylamino)spiro[aziridin-1-ium-1,1'-indol-1-ium]-2-sulfonate

Systemtic Name: potassium (2'E)-2'-[(E)-3-[3,3-dimethyl-5-(methylcarbamoylamino)-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3',3'-dimethyl-5'-(methylcarbamoylamino)spiro[aziridin-1-ium-1,1'-indol-1-ium]-2-sulfonate Openeye Name: potassium (2'E)-2'-[(E)-3-[3,3-dimethyl-5-(methylcarbamoylamino)-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3',3'-dimethyl-5'-(methylcarbamoylamino)spiro[aziridin-1-ium-1,1'-indol-1-ium]-2-sulfonate CAS Name: potassium (2'E)-2'-[(E)-3-[3,3-dimethyl-5-(methylcarbamoylamino)-1-(2-sulfonatoethyl)-2-indol-1-iumyl]prop-2-enylidene]-3',3'-dimethyl-5'-(methylcarbamoylamino)-2-spiro[aziridin-1-ium-1,1'-indol-1-ium]sulfonate IUPAC Name: potassium (2'E)-2'-[(E)-3-[3,3-dimethyl-5-(methylcarbamoylamino)-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3',3'-dimethyl-5'-(methylcarbamoylamino)spiro[aziridin-1-ium-1,1'-indol-1-ium]-2-sulfonate Traditional Name: potassium (2'E)-2'-[(E)-3-[3,3-dimethyl-5-(methylcarbamoylamino)-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3',3'-dimethyl-5'-(methylcarbamoylamino)spiro[aziridin-1-ium-1,1'-indol-1-ium]-2-sulfonate Formula: C31H38KN6O8S2+ MolecularWeight: 725.89712

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)NC(=O)NC)[N+](=C1C=CC=C3C(C4=C([N+]35CC5S(=O)(=O)[O-])C=CC(=C4)NC(=O)NC)(C)C)CCS(=O)(=O)[O-])C.[K+]

Isomeric SMILES

CC1(C2=C(C=CC(=C2)NC(=O)NC)[N+](=C1/C=C/C=C/3\C(C4=C([N+]35CC5S(=O)(=O)[O-])C=CC(=C4)NC(=O)NC)(C)C)CCS(=O)(=O)[O-])C.[K+]

InChI

InChI=1S/C31H38N6O8S2.K/c1-30(2)21-16-19(34-28(38)32-5)10-12-23(21)36(14-15-46(40,41)42)25(30)8-7-9-26-31(3,4)22-17-20(35-29(39)33-6)11-13-24(22)37(26)18-27(37)47(43,44)45;/h7-13,16-17,27H,14-15,18H2,1-6H3,(H4-2,32,33,34,35,38,39,40,41,42,43,44,45);/q;+1/b8-7+,26-9+;