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

Systemtic Name: methyl 4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]benzoate CAS Name: 4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]benzoate Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C20H25N2O2+ MolecularWeight: 325.4247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2/c1-24-20(23)19-9-7-18(8-10-19)16-22-13-11-21(12-14-22)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3/p+1