N-[1-(1-ethyl-3,3-dimethyl-benzo[e]indol-3-ium-2-yl)ethenyl]aniline; 4-methylbenzenesulfonate

Systemtic Name: N-[1-(1-ethyl-3,3-dimethyl-benzo[e]indol-3-ium-2-yl)ethenyl]aniline; 4-methylbenzenesulfonate Openeye Name: N-[1-(1-ethyl-3,3-dimethyl-benzo[e]indol-3-ium-2-yl)vinyl]aniline; 4-methylbenzenesulfonate CAS Name: N-[1-(1-ethyl-3,3-dimethyl-2-benzo[e]indol-3-iumyl)ethenyl]aniline; 4-methylbenzenesulfonate IUPAC Name: N-[1-(1-ethyl-3,3-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]aniline; 4-methylbenzenesulfonate Traditional Name: 1-(1-ethyl-3,3-dimethyl-benz[e]indol-3-ium-2-yl)vinyl-phenyl-amine tosylate Formula: C31H32N2O3S MolecularWeight: 512.66238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([N+](C2=C1C3=CC=CC=C3C=C2)(C)C)C(=C)NC4=CC=CC=C4.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=C([N+](C2=C1C3=CC=CC=C3C=C2)(C)C)C(=C)NC4=CC=CC=C4.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C24H25N2.C7H8O3S/c1-5-20-23-21-14-10-9-11-18(21)15-16-22(23)26(3,4)24(20)17(2)25-19-12-7-6-8-13-19;1-6-2-4-7(5-3-6)11(8,9)10/h6-16,25H,2,5H2,1,3-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1