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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(C1(C)C)C=CC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(C1(C)C)C=CC3=CC=CC=C32)C

InChI

InChI=1S/C16H18N.C7H8O3S/c1-11-16(2,3)14-10-9-12-7-5-6-8-13(12)15(14)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