4-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]-N,N-dimethyl-2,2-diphenyl-butanamide hydrate

Systemtic Name: 4-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]-N,N-dimethyl-2,2-diphenyl-butanamide hydrate Openeye Name: 4-[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]-N,N-dimethyl-2,2-diphenyl-butanamide hydrate CAS Name: 4-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-N,N-dimethyl-2,2-diphenylbutanamide hydrate IUPAC Name: 4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide hydrate Traditional Name: 4-[4-(4-bromophenyl)-4-hydroxy-piperidino]-N,N-dimethyl-2,2-diphenyl-butyramide hydrate Formula: C29H35BrN2O3 MolecularWeight: 539.5038

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Br)O)(C3=CC=CC=C3)C4=CC=CC=C4.O

Isomeric SMILES

CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Br)O)(C3=CC=CC=C3)C4=CC=CC=C4.O

InChI

InChI=1S/C29H33BrN2O2.H2O/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H2