6-methyl-N-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonyl-quinolin-1-ium-4-amine

Systemtic Name: 6-methyl-N-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonyl-quinolin-1-ium-4-amine Openeye Name: 6-methyl-N-(p-tolylmethyl)-3-(p-tolylsulfonyl)quinolin-1-ium-4-amine CAS Name: 6-methyl-N-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonyl-4-quinolin-1-iumamine IUPAC Name: 6-methyl-N-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-1-ium-4-amine Traditional Name: (4-methylbenzyl)-(6-methyl-3-tosyl-quinolin-1-ium-4-yl)amine Formula: C25H25N2O2S+ MolecularWeight: 417.5432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C25H24N2O2S/c1-17-4-9-20(10-5-17)15-27-25-22-14-19(3)8-13-23(22)26-16-24(25)30(28,29)21-11-6-18(2)7-12-21/h4-14,16H,15H2,1-3H3,(H,26,27)/p+1