ethyl 4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-(2-pyridylmethyl)piperazin-4-ium-1-carboxylate CAS Name: 4-(2-pyridinylmethyl)-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxylate Traditional Name: 4-(2-pyridylmethyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC=CC=N2

InChI

InChI=1S/C13H19N3O2/c1-2-18-13(17)16-9-7-15(8-10-16)11-12-5-3-4-6-14-12/h3-6H,2,7-11H2,1H3/p+1