ethyl 2-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methylamino]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methylamino]pyridine-3-carboxylate Openeye Name: ethyl 2-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methylamino]pyridine-3-carboxylate CAS Name: 2-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methylamino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methylamino]pyridine-3-carboxylate Traditional Name: 2-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methylamino]nicotinic acid ethyl ester Formula: C20H26N5O3+ MolecularWeight: 384.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C20H25N5O3/c1-3-28-20(27)17-7-5-8-21-18(17)23-14-16-6-4-9-22-19(16)25-12-10-24(11-13-25)15(2)26/h4-9H,3,10-14H2,1-2H3,(H,21,23)/p+1