6-chloranyl-4-(4-methylpiperidin-1-yl)-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 6-chloranyl-4-(4-methylpiperidin-1-yl)-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-chloro-4-(4-methyl-1-piperidyl)quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-chloro-4-(4-methyl-1-piperidinyl)quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-chloro-4-(4-methylpiperidin-1-yl)quinolin-1-ium Traditional Name: 3-besyl-6-chloro-4-(4-methylpiperidino)quinolin-1-ium Formula: C21H22ClN2O2S+ MolecularWeight: 401.92958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1CCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-15-9-11-24(12-10-15)21-18-13-16(22)7-8-19(18)23-14-20(21)27(25,26)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3/p+1