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

Systemtic Name: ethyl 4-[(2R)-1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-(3-chloro-4-methoxy-anilino)-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H25ClN3O4+ MolecularWeight: 370.8511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClN3O4/c1-4-25-17(23)21-9-7-20(8-10-21)12(2)16(22)19-13-5-6-15(24-3)14(18)11-13/h5-6,11-12H,4,7-10H2,1-3H3,(H,19,22)/p+1/t12-/m1/s1