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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-3-(phenylsulfonyl)quinolin-1-ium-4-amine Openeye Name: 3-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]quinolin-1-ium-4-amine CAS Name: 3-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-4-quinolin-1-iumamine IUPAC Name: 3-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]quinolin-1-ium-4-amine Traditional Name: (3-besylquinolin-1-ium-4-yl)-p-anisyl-amine Formula: C23H21N2O3S+ MolecularWeight: 405.48944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=C(C=[NH+]C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=C(C=[NH+]C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H20N2O3S/c1-28-18-13-11-17(12-14-18)15-25-23-20-9-5-6-10-21(20)24-16-22(23)29(26,27)19-7-3-2-4-8-19/h2-14,16H,15H2,1H3,(H,24,25)/p+1