potassium 2-[(E)-2-[7-(dihexylamino)-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl]ethenyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-sulfonate

Systemtic Name: potassium 2-[(E)-2-[7-(dihexylamino)-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl]ethenyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-sulfonate Openeye Name: potassium 2-[(E)-2-[7-(dihexylamino)-2-hydroxy-4-oxo-1H-quinolin-3-yl]vinyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-sulfonate CAS Name: potassium 2-[(E)-2-[7-(dihexylamino)-2-hydroxy-4-oxo-1H-quinolin-3-yl]ethenyl]-3,3-dimethyl-1-(3-sulfonatopropyl)-5-indol-1-iumsulfonate IUPAC Name: potassium 2-[(E)-2-[7-(dihexylamino)-2-hydroxy-4-oxo-1H-quinolin-3-yl]ethenyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-sulfonate Traditional Name: potassium 2-[(E)-2-[7-(dihexylamino)-2-hydroxy-4-keto-1H-quinolin-3-yl]vinyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-sulfonate Formula: C36H48KN3O8S2 MolecularWeight: 754.00992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=CC2=C(C=C1)C(=O)C(=C(N2)O)C=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)[O-])CCCS(=O)(=O)[O-].[K+]

Isomeric SMILES

CCCCCCN(CCCCCC)C1=CC2=C(C=C1)C(=O)C(=C(N2)O)/C=C/C3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)[O-])CCCS(=O)(=O)[O-].[K+]

InChI

InChI=1S/C36H49N3O8S2.K/c1-5-7-9-11-20-38(21-12-10-8-6-2)26-14-16-28-31(24-26)37-35(41)29(34(28)40)17-19-33-36(3,4)30-25-27(49(45,46)47)15-18-32(30)39(33)22-13-23-48(42,43)44;/h14-19,24-25H,5-13,20-23H2,1-4H3,(H3,37,40,41,42,43,44,45,46,47);/q;+1/p-1