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

Systemtic Name: N-ethyl-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pyridine-3-carboxamide Openeye Name: N-ethyl-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-ethyl-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-3-pyridinecarboxamide IUPAC Name: N-ethyl-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pyridine-3-carboxamide Traditional Name: N-ethyl-2-(4-pyridin-1-ium-4-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=[NH+]C=C3

Isomeric SMILES

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

InChI

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