(2E)-2-[(Z)-2-chloranyl-3-(1-heptyl-3,3-dimethyl-5-methylsulfonyl-indol-1-ium-2-yl)prop-2-enylidene]-1-heptyl-3,3,5-trimethyl-indole

Systemtic Name: (2E)-2-[(Z)-2-chloranyl-3-(1-heptyl-3,3-dimethyl-5-methylsulfonyl-indol-1-ium-2-yl)prop-2-enylidene]-1-heptyl-3,3,5-trimethyl-indole Openeye Name: (2E)-2-[(Z)-2-chloro-3-(1-heptyl-3,3-dimethyl-5-methylsulfonyl-indol-1-ium-2-yl)prop-2-enylidene]-1-heptyl-3,3,5-trimethyl-indoline CAS Name: (2E)-2-[(Z)-2-chloro-3-(1-heptyl-3,3-dimethyl-5-methylsulfonyl-2-indol-1-iumyl)prop-2-enylidene]-1-heptyl-3,3,5-trimethylindole IUPAC Name: (2E)-2-[(Z)-2-chloro-3-(1-heptyl-3,3-dimethyl-5-methylsulfonylindol-1-ium-2-yl)prop-2-enylidene]-1-heptyl-3,3,5-trimethylindole Traditional Name: (2E)-2-[(Z)-2-chloro-3-(1-heptyl-5-mesyl-3,3-dimethyl-indol-1-ium-2-yl)prop-2-enylidene]-1-heptyl-3,3,5-trimethyl-indoline Formula: C39H56ClN2O2S+ MolecularWeight: 652.39214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(C=C(C=C2)C)C(C1=CC(=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)C)CCCCCCC)Cl)(C)C

Isomeric SMILES

CCCCCCCN\1C2=C(C=C(C=C2)C)C(/C1=C\C(=C\C3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)C)CCCCCCC)\Cl)(C)C

InChI

InChI=1S/C39H56ClN2O2S/c1-9-11-13-15-17-23-41-34-21-19-29(3)25-32(34)38(4,5)36(41)26-30(40)27-37-39(6,7)33-28-31(45(8,43)44)20-22-35(33)42(37)24-18-16-14-12-10-2/h19-22,25-28H,9-18,23-24H2,1-8H3/q+1