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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonyl-quinolin-1-ium-4-amine Openeye Name: N-[(4-methoxyphenyl)methyl]-3-(p-tolylsulfonyl)quinolin-1-ium-4-amine CAS Name: N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonyl-4-quinolin-1-iumamine IUPAC Name: N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-1-ium-4-amine Traditional Name: p-anisyl-(3-tosylquinolin-1-ium-4-yl)amine Formula: C24H23N2O3S+ MolecularWeight: 419.51602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)NCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)NCC4=CC=C(C=C4)OC

InChI

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