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

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(4-isopropylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(2-cumidino-2-keto-ethyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H28N3O3+ MolecularWeight: 334.43322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-4-24-18(23)21-11-9-20(10-12-21)13-17(22)19-16-7-5-15(6-8-16)14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,19,22)/p+1