methyl 5-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 5-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 5-methyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 5-methyl-2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 5-methyl-2-[[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C19H24N5O3+ MolecularWeight: 370.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)C(=O)OC

InChI

InChI=1S/C19H23N5O3/c1-14-4-5-16(15(12-14)18(26)27-2)22-17(25)13-23-8-10-24(11-9-23)19-20-6-3-7-21-19/h3-7,12H,8-11,13H2,1-2H3,(H,22,25)/p+1