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

Systemtic Name: ethyl 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H31N4O4+ MolecularWeight: 391.48454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O4/c1-3-28-20(26)24-10-8-21(9-11-24)16-19(25)23-14-12-22(13-15-23)17-4-6-18(27-2)7-5-17/h4-7H,3,8-16H2,1-2H3/p+1