(1E)-1-(3,3-dimethyl-1H-benzo[e]indol-3-ium-2-ylidene)butane-1-sulfonic acid

Systemtic Name: (1E)-1-(3,3-dimethyl-1H-benzo[e]indol-3-ium-2-ylidene)butane-1-sulfonic acid Openeye Name: (1E)-1-(3,3-dimethyl-1H-benzo[e]indol-3-ium-2-ylidene)butane-1-sulfonic acid CAS Name: (1E)-1-(3,3-dimethyl-1H-benzo[e]indol-3-ium-2-ylidene)-1-butanesulfonic acid IUPAC Name: (1E)-1-(3,3-dimethyl-1H-benzo[e]indol-3-ium-2-ylidene)butane-1-sulfonic acid Traditional Name: (1E)-1-(3,3-dimethyl-1H-benz[e]indol-3-ium-2-ylidene)butane-1-sulfonic acid Formula: C18H22NO3S+ MolecularWeight: 332.43718

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1CC2=C([N+]1(C)C)C=CC3=CC=CC=C23)S(=O)(=O)O

Isomeric SMILES

CCC/C(=C\1/CC2=C([N+]1(C)C)C=CC3=CC=CC=C23)/S(=O)(=O)O

InChI

InChI=1S/C18H21NO3S/c1-4-7-18(23(20,21)22)17-12-15-14-9-6-5-8-13(14)10-11-16(15)19(17,2)3/h5-6,8-11H,4,7,12H2,1-3H3/p+1/b18-17+