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

Systemtic Name: (2R)-1-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-2-carboxamide Openeye Name: (2R)-1-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]piperidine-2-carboxamide CAS Name: (2R)-1-[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2-piperidinecarboxamide IUPAC Name: (2R)-1-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]piperidine-2-carboxamide Traditional Name: (2R)-1-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]pipecolinamide Formula: C18H26ClN4O2+ MolecularWeight: 365.87764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCN([C@H](C1)C(=O)N)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H25ClN4O2/c19-14-4-3-5-15(12-14)22-10-8-21(9-11-22)13-17(24)23-7-2-1-6-16(23)18(20)25/h3-5,12,16H,1-2,6-11,13H2,(H2,20,25)/p+1/t16-/m1/s1