(3S)-N-(4-bromanyl-2-methyl-phenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-bromanyl-2-methyl-phenyl)piperidine-3-carboxamide Openeye Name: (3S)-N-(4-bromo-2-methyl-phenyl)piperidine-3-carboxamide CAS Name: (3S)-N-(4-bromo-2-methylphenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-N-(4-bromo-2-methyl-phenyl)nipecotamide Formula: C13H17BrN2O MolecularWeight: 297.19088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2CCCNC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)[C@H]2CCCNC2

InChI

InChI=1S/C13H17BrN2O/c1-9-7-11(14)4-5-12(9)16-13(17)10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17)/t10-/m0/s1