(3R)-1-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]piperidine-3-carboxamide CAS Name: (3R)-1-[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]nipecotamide Formula: C17H27N5O2+2 MolecularWeight: 333.42858

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C(=O)N

InChI

InChI=1S/C17H25N5O2/c18-17(24)14-4-3-7-22(12-14)16(23)13-20-8-10-21(11-9-20)15-5-1-2-6-19-15/h1-2,5-6,14H,3-4,7-13H2,(H2,18,24)/p+2/t14-/m1/s1