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

Systemtic Name: ethyl 4-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(3,4-dimethoxyanilino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H26N3O5+ MolecularWeight: 352.40544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O5/c1-4-25-17(22)20-9-7-19(8-10-20)12-16(21)18-13-5-6-14(23-2)15(11-13)24-3/h5-6,11H,4,7-10,12H2,1-3H3,(H,18,21)/p+1