ethyl 4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[4-(o-tolyl)piperazin-1-yl]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[4-(2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[4-(o-tolyl)piperazino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H31N4O3+ MolecularWeight: 375.48514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C20H30N4O3/c1-3-27-20(26)24-10-8-21(9-11-24)16-19(25)23-14-12-22(13-15-23)18-7-5-4-6-17(18)2/h4-7H,3,8-16H2,1-2H3/p+1