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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3Cl)C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3Cl)C(=O)N

InChI

InChI=1S/C18H25ClN4O2/c19-15-5-1-2-6-16(15)22-10-8-21(9-11-22)13-17(24)23-7-3-4-14(12-23)18(20)25/h1-2,5-6,14H,3-4,7-13H2,(H2,20,25)/p+1/t14-/m1/s1