ethyl 4-[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[(3-chlorobenzyl)amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H23ClN3O3+ MolecularWeight: 340.82512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H22ClN3O3/c1-2-23-16(22)20-8-6-19(7-9-20)12-15(21)18-11-13-4-3-5-14(17)10-13/h3-5,10H,2,6-9,11-12H2,1H3,(H,18,21)/p+1