ethyl 4-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(4-methoxyanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(4-methoxyanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-(p-anisidino)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H24N3O4+ MolecularWeight: 322.37946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-3-23-16(21)19-10-8-18(9-11-19)12-15(20)17-13-4-6-14(22-2)7-5-13/h4-7H,3,8-12H2,1-2H3,(H,17,20)/p+1