4-methoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]benzamide

Systemtic Name: 4-methoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]benzamide Openeye Name: 4-methoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]benzamide CAS Name: 4-methoxy-N-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]benzamide IUPAC Name: 4-methoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]benzamide Traditional Name: 4-methoxy-N-[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]benzamide Formula: C18H22N5O3+ MolecularWeight: 356.39898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H21N5O3/c1-26-15-5-3-14(4-6-15)17(25)21-16(24)13-22-9-11-23(12-10-22)18-19-7-2-8-20-18/h2-8H,9-13H2,1H3,(H,21,24,25)/p+1