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

Systemtic Name: 6-methoxy-N-[(4-methylphenyl)methyl]-3-(phenylsulfonyl)quinolin-1-ium-4-amine Openeye Name: 3-(benzenesulfonyl)-6-methoxy-N-(p-tolylmethyl)quinolin-1-ium-4-amine CAS Name: 3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]-4-quinolin-1-iumamine IUPAC Name: 3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine Traditional Name: (3-besyl-6-methoxy-quinolin-1-ium-4-yl)-(4-methylbenzyl)amine Formula: C24H23N2O3S+ MolecularWeight: 419.51602

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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=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O3S/c1-17-8-10-18(11-9-17)15-26-24-21-14-19(29-2)12-13-22(21)25-16-23(24)30(27,28)20-6-4-3-5-7-20/h3-14,16H,15H2,1-2H3,(H,25,26)/p+1