N-methyl-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-methyl-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-methyl-4-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: N-methyl-4-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-methyl-4-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-methyl-4-[[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C18H23N6O2+ MolecularWeight: 355.41422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O2/c1-19-17(26)14-3-5-15(6-4-14)22-16(25)13-23-9-11-24(12-10-23)18-20-7-2-8-21-18/h2-8H,9-13H2,1H3,(H,19,26)(H,22,25)/p+1