methyl 4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC

InChI

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