(3S)-1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-N,N-diethyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-N,N-diethyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-N,N-diethyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide Traditional Name: (3S)-1-(2-bromo-4,5-dimethoxy-benzyl)-N,N-diethyl-nipecotamide Formula: C19H29BrN2O3 MolecularWeight: 413.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)CC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCCN(C1)CC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C19H29BrN2O3/c1-5-22(6-2)19(23)14-8-7-9-21(12-14)13-15-10-17(24-3)18(25-4)11-16(15)20/h10-11,14H,5-9,12-13H2,1-4H3/t14-/m0/s1