ethyl 4-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[(5-chloro-2-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=NC=C(C=C2)Cl

Isomeric SMILES

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

InChI

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