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

Systemtic Name: methyl 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[4-(4-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=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

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

InChI

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