methyl 4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]benzoate CAS Name: 4-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]benzoate Traditional Name: 4-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]benzoic acid methyl ester Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H24N2O3/c1-16-5-3-4-6-19(16)15-22-11-13-23(14-12-22)20(24)17-7-9-18(10-8-17)21(25)26-2/h3-10H,11-15H2,1-2H3/p+1