N-(2-methoxyphenyl)-4-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoylamino]benzamide

Systemtic Name: N-(2-methoxyphenyl)-4-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoylamino]benzamide Openeye Name: N-(2-methoxyphenyl)-4-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoylamino]benzamide CAS Name: N-(2-methoxyphenyl)-4-[[1-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]amino]benzamide IUPAC Name: N-(2-methoxyphenyl)-4-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoylamino]benzamide Traditional Name: N-(2-methoxyphenyl)-4-[3-(4-pyridin-1-ium-2-ylpiperazino)propanoylamino]benzamide Formula: C26H30N5O3+ MolecularWeight: 460.5481

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CCN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CCN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C26H29N5O3/c1-34-23-7-3-2-6-22(23)29-26(33)20-9-11-21(12-10-20)28-25(32)13-15-30-16-18-31(19-17-30)24-8-4-5-14-27-24/h2-12,14H,13,15-19H2,1H3,(H,28,32)(H,29,33)/p+1