ethyl 4-[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(5-acetamido-2-methoxy-anilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(5-acetamido-2-methoxy-anilino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H27N4O5+ MolecularWeight: 379.43078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O5/c1-4-27-18(25)22-9-7-21(8-10-22)12-17(24)20-15-11-14(19-13(2)23)5-6-16(15)26-3/h5-6,11H,4,7-10,12H2,1-3H3,(H,19,23)(H,20,24)/p+1