N-ethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carboxamide

Systemtic Name: N-ethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carboxamide Openeye Name: N-ethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-ethyl-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridinecarboxamide IUPAC Name: N-ethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carboxamide Traditional Name: N-ethyl-2-(4-pyridin-1-ium-2-ylpiperazino)nicotinamide Formula: C17H22N5O+ MolecularWeight: 312.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=C(N=CC=C1)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCNC(=O)C1=C(N=CC=C1)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H21N5O/c1-2-18-17(23)14-6-5-9-20-16(14)22-12-10-21(11-13-22)15-7-3-4-8-19-15/h3-9H,2,10-13H2,1H3,(H,18,23)/p+1