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

Systemtic Name: ethyl 4-[(2R)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H28N3O5+ MolecularWeight: 366.43202

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5/c1-5-26-18(23)21-10-8-20(9-11-21)13(2)17(22)19-14-6-7-15(24-3)16(12-14)25-4/h6-7,12-13H,5,8-11H2,1-4H3,(H,19,22)/p+1/t13-/m1/s1