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

Systemtic Name: ethyl 4-[(2R)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-[(2-chloro-3-pyridyl)amino]-2-keto-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H22ClN4O3+ MolecularWeight: 341.81318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN4O3/c1-3-23-15(22)20-9-7-19(8-10-20)11(2)14(21)18-12-5-4-6-17-13(12)16/h4-6,11H,3,7-10H2,1-2H3,(H,18,21)/p+1/t11-/m1/s1