ethyl 4-(2,2-diphenylethyl)piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-(2,2-diphenylethyl)piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-(2,2-diphenylethyl)piperazin-4-ium-1-carboxylate CAS Name: 4-(2,2-diphenylethyl)-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,2-diphenylethyl)piperazin-4-ium-1-carboxylate Traditional Name: 4-(2,2-diphenylethyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H27N2O2+ MolecularWeight: 339.45128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-2-25-21(24)23-15-13-22(14-16-23)17-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3/p+1