4-(2,3,3-trimethyl-1,2-dihydrobenzo[e]indol-3-ium-1-yl)butane-1-sulfonate

Systemtic Name: 4-(2,3,3-trimethyl-1,2-dihydrobenzo[e]indol-3-ium-1-yl)butane-1-sulfonate Openeye Name: 4-(2,3,3-trimethyl-1,2-dihydrobenzo[e]indol-3-ium-1-yl)butane-1-sulfonate CAS Name: 4-(2,3,3-trimethyl-1,2-dihydrobenzo[e]indol-3-ium-1-yl)-1-butanesulfonate IUPAC Name: 4-(2,3,3-trimethyl-1,2-dihydrobenzo[e]indol-3-ium-1-yl)butane-1-sulfonate Traditional Name: 4-(2,3,3-trimethyl-1,2-dihydrobenz[e]indol-3-ium-1-yl)butane-1-sulfonate Formula: C19H25NO3S MolecularWeight: 347.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C([N+]1(C)C)C=CC3=CC=CC=C32)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CC1C(C2=C([N+]1(C)C)C=CC3=CC=CC=C32)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C19H25NO3S/c1-14-16(9-6-7-13-24(21,22)23)19-17-10-5-4-8-15(17)11-12-18(19)20(14,2)3/h4-5,8,10-12,14,16H,6-7,9,13H2,1-3H3