1-(1,1-dimethylbenzo[e]indol-3-ium-3-yl)butane-1-sulfonic acid

Systemtic Name: 1-(1,1-dimethylbenzo[e]indol-3-ium-3-yl)butane-1-sulfonic acid Openeye Name: 1-(1,1-dimethylbenzo[e]indol-3-ium-3-yl)butane-1-sulfonic acid CAS Name: 1-(1,1-dimethyl-3-benzo[e]indol-3-iumyl)-1-butanesulfonic acid IUPAC Name: 1-(1,1-dimethylbenzo[e]indol-3-ium-3-yl)butane-1-sulfonic acid Traditional Name: 1-(1,1-dimethylbenz[e]indol-3-ium-3-yl)butane-1-sulfonic acid Formula: C18H22NO3S+ MolecularWeight: 332.43718

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Descriptors Computed from Structure

Canonical SMILES:

CCCC([N+]1=CC(C2=C1C=CC3=CC=CC=C32)(C)C)S(=O)(=O)O

Isomeric SMILES

CCCC([N+]1=CC(C2=C1C=CC3=CC=CC=C32)(C)C)S(=O)(=O)O

InChI

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