6-chloranyl-3-(4-methylphenyl)sulfonyl-4-piperidin-1-yl-quinolin-1-ium

Systemtic Name: 6-chloranyl-3-(4-methylphenyl)sulfonyl-4-piperidin-1-yl-quinolin-1-ium Openeye Name: 6-chloro-4-(1-piperidyl)-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 6-chloro-3-(4-methylphenyl)sulfonyl-4-(1-piperidinyl)quinolin-1-ium IUPAC Name: 6-chloro-3-(4-methylphenyl)sulfonyl-4-piperidin-1-ylquinolin-1-ium Traditional Name: 6-chloro-4-piperidino-3-tosyl-quinolin-1-ium Formula: C21H22ClN2O2S+ MolecularWeight: 401.92958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCCCC4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCCCC4)Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-15-5-8-17(9-6-15)27(25,26)20-14-23-19-10-7-16(22)13-18(19)21(20)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3/p+1