methyl 3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C20H25N2O3+ MolecularWeight: 341.4241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C20H24N2O3/c1-24-19-8-4-7-18(14-19)22-11-9-21(10-12-22)15-16-5-3-6-17(13-16)20(23)25-2/h3-8,13-14H,9-12,15H2,1-2H3/p+1