2-[4-(4-chlorophenyl)-1-(diphenylmethyl)-4-oxidanyl-piperidin-1-ium-1-yl]butanamide hydrochloride

Systemtic Name: 2-[4-(4-chlorophenyl)-1-(diphenylmethyl)-4-oxidanyl-piperidin-1-ium-1-yl]butanamide hydrochloride Openeye Name: 2-[1-benzhydryl-4-(4-chlorophenyl)-4-hydroxy-piperidin-1-ium-1-yl]butanamide hydrochloride CAS Name: 2-[4-(4-chlorophenyl)-1-(diphenylmethyl)-4-hydroxy-1-piperidin-1-iumyl]butanamide hydrochloride IUPAC Name: 2-[1-benzhydryl-4-(4-chlorophenyl)-4-hydroxypiperidin-1-ium-1-yl]butanamide hydrochloride Traditional Name: 2-[1-benzhydryl-4-(4-chlorophenyl)-4-hydroxy-piperidin-1-ium-1-yl]butyramide hydrochloride Formula: C28H33Cl2N2O2+ MolecularWeight: 500.47982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)[N+]1(CCC(CC1)(C2=CC=C(C=C2)Cl)O)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

CCC(C(=O)N)[N+]1(CCC(CC1)(C2=CC=C(C=C2)Cl)O)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C28H31ClN2O2.ClH/c1-2-25(27(30)32)31(19-17-28(33,18-20-31)23-13-15-24(29)16-14-23)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22;/h3-16,25-26,33H,2,17-20H2,1H3,(H-,30,32);1H/p+1