methyl 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(2,5-dimethylphenyl)-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H26N2O2/c1-16-4-5-17(2)20(14-16)23-12-10-22(11-13-23)15-18-6-8-19(9-7-18)21(24)25-3/h4-9,14H,10-13,15H2,1-3H3/p+1