ethyl 2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-carboxylate

Systemtic Name: ethyl 2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-carboxylate Openeye Name: ethyl 2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-carboxylate CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-4-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-carboxylate Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-carboxylic acid ethyl ester Formula: C13H21N3O2+2 MolecularWeight: 251.32474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=[NH+]C=C1)N2CC[NH+](CC2)C

Isomeric SMILES

CCOC(=O)C1=CC(=[NH+]C=C1)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H19N3O2/c1-3-18-13(17)11-4-5-14-12(10-11)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9H2,1-2H3/p+2