1-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]piperidin-1-ium-4-carboxamide Formula: C17H27N5O2+2 MolecularWeight: 333.42858

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

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