ethyl 4-[3-[(3-methoxyphenyl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[3-[(3-methoxyphenyl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[3-(3-methoxyanilino)-3-oxo-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[3-(3-methoxyanilino)-3-oxopropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-methoxyanilino)-3-oxopropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-keto-3-(m-anisidino)propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4/c1-3-24-17(22)20-11-9-19(10-12-20)8-7-16(21)18-14-5-4-6-15(13-14)23-2/h4-6,13H,3,7-12H2,1-2H3,(H,18,21)/p+1