methyl 4-methyl-3-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C22H27N3O3/c1-16-8-9-18(22(27)28-3)14-19(16)23-21(26)15-24-10-12-25(13-11-24)20-7-5-4-6-17(20)2/h4-9,14H,10-13,15H2,1-3H3,(H,23,26)/p+1