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

Systemtic Name: methyl 4-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H25N3O3/c1-16-5-3-4-6-19(16)24-13-11-23(12-14-24)15-20(25)22-18-9-7-17(8-10-18)21(26)27-2/h3-10H,11-15H2,1-2H3,(H,22,25)/p+1