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

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

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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=[NH+]3

Isomeric SMILES

C1CCN([C@H](C1)C(=O)N)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

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