(3R)-1-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]piperidine-3-carboxamide CAS Name: (3R)-1-[2-(4-benzoyl-1-piperazin-1-iumyl)-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]nipecotamide Formula: C19H27N4O3+ MolecularWeight: 359.44268

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C19H26N4O3/c20-18(25)16-7-4-8-23(13-16)17(24)14-21-9-11-22(12-10-21)19(26)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H2,20,25)/p+1/t16-/m1/s1