1-phenyl-1-(phenylsulfonyl)piperidin-1-ium-3-amine hydrochloride

Systemtic Name: 1-phenyl-1-(phenylsulfonyl)piperidin-1-ium-3-amine hydrochloride Openeye Name: 1-(benzenesulfonyl)-1-phenyl-piperidin-1-ium-3-amine hydrochloride CAS Name: 1-(benzenesulfonyl)-1-phenyl-3-piperidin-1-iumamine hydrochloride IUPAC Name: 1-(benzenesulfonyl)-1-phenylpiperidin-1-ium-3-amine hydrochloride Traditional Name: (1-besyl-1-phenyl-piperidin-1-ium-3-yl)amine hydrochloride Formula: C17H22ClN2O2S+ MolecularWeight: 353.88678

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[N+](C1)(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)N.Cl

Isomeric SMILES

C1CC(C[N+](C1)(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)N.Cl

InChI

InChI=1S/C17H21N2O2S.ClH/c18-15-8-7-13-19(14-15,16-9-3-1-4-10-16)22(20,21)17-11-5-2-6-12-17;/h1-6,9-12,15H,7-8,13-14,18H2;1H/q+1;