methyl 4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]benzoate CAS Name: 4-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]benzoate Traditional Name: 4-[4-(3-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=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

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