6-chloranyl-4-[(2R)-2-methylpiperidin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 6-chloranyl-4-[(2R)-2-methylpiperidin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-chloro-4-[(2R)-2-methyl-1-piperidyl]quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-chloro-4-[(2R)-2-methyl-1-piperidinyl]quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-chloro-4-[(2R)-2-methylpiperidin-1-yl]quinolin-1-ium Traditional Name: 3-besyl-6-chloro-4-[(2R)-2-methylpiperidino]quinolin-1-ium Formula: C21H22ClN2O2S+ MolecularWeight: 401.92958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

C[C@@H]1CCCCN1C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-15-7-5-6-12-24(15)21-18-13-16(22)10-11-19(18)23-14-20(21)27(25,26)17-8-3-2-4-9-17/h2-4,8-11,13-15H,5-7,12H2,1H3/p+1/t15-/m1/s1