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

Systemtic Name: N-(4-methoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzamide Openeye Name: N-(4-methoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzamide CAS Name: N-(4-methoxyphenyl)-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]benzamide IUPAC Name: N-(4-methoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzamide Traditional Name: N-(4-methoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzamide Formula: C24H28N4O2+2 MolecularWeight: 404.50472

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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=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H26N4O2/c1-30-22-11-9-21(10-12-22)26-24(29)20-7-5-19(6-8-20)18-27-14-16-28(17-15-27)23-4-2-3-13-25-23/h2-13H,14-18H2,1H3,(H,26,29)/p+2