4-[(2S)-2-methylpiperidin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 4-[(2S)-2-methylpiperidin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-4-[(2S)-2-methyl-1-piperidyl]quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-4-[(2S)-2-methyl-1-piperidinyl]quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-4-[(2S)-2-methylpiperidin-1-yl]quinolin-1-ium Traditional Name: 3-besyl-4-[(2S)-2-methylpiperidino]quinolin-1-ium Formula: C21H23N2O2S+ MolecularWeight: 367.48452

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C=[NH+]C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCCN1C2=C(C=[NH+]C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2S/c1-16-9-7-8-14-23(16)21-18-12-5-6-13-19(18)22-15-20(21)26(24,25)17-10-3-2-4-11-17/h2-6,10-13,15-16H,7-9,14H2,1H3/p+1/t16-/m0/s1