4-methylbenzenesulfonate; 1,1,2,3-tetramethylbenzo[e]indol-3-ium

Systemtic Name: 4-methylbenzenesulfonate; 1,1,2,3-tetramethylbenzo[e]indol-3-ium Openeye Name: 4-methylbenzenesulfonate; 1,1,2,3-tetramethylbenzo[e]indol-3-ium CAS Name: 4-methylbenzenesulfonate; 1,1,2,3-tetramethylbenzo[e]indol-3-ium IUPAC Name: 4-methylbenzenesulfonate; 1,1,2,3-tetramethylbenzo[e]indol-3-ium Traditional Name: 1,1,2,3-tetramethylbenz[e]indol-3-ium tosylate Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)C

InChI

InChI=1S/C16H18N.C7H8O3S/c1-11-16(2,3)15-13-8-6-5-7-12(13)9-10-14(15)17(11)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-10H,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1