methyl 2-(4-phenacylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: methyl 2-(4-phenacylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 2-(4-phenacylpiperazin-4-ium-1-yl)benzoate CAS Name: 2-(4-phenacyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 2-(4-phenacylpiperazin-4-ium-1-yl)benzoate Traditional Name: 2-(4-phenacylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C20H23N2O3+ MolecularWeight: 339.40822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3/c1-25-20(24)17-9-5-6-10-18(17)22-13-11-21(12-14-22)15-19(23)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3/p+1