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

Systemtic Name: N-(4-methoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzamide Openeye Name: N-(4-methoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzamide CAS Name: N-(4-methoxyphenyl)-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]benzamide IUPAC Name: N-(4-methoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzamide Traditional Name: N-(4-methoxyphenyl)-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]benzamide Formula: C23H26N5O2+ MolecularWeight: 404.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H25N5O2/c1-30-21-9-7-20(8-10-21)26-22(29)19-5-3-18(4-6-19)17-27-13-15-28(16-14-27)23-24-11-2-12-25-23/h2-12H,13-17H2,1H3,(H,26,29)/p+1