ethyl 4-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C14H20ClN4O3+ MolecularWeight: 327.7866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(N=CC=C2)Cl

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C14H19ClN4O3/c1-2-22-14(21)19-8-6-18(7-9-19)10-12(20)17-11-4-3-5-16-13(11)15/h3-5H,2,6-10H2,1H3,(H,17,20)/p+1