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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

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