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

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-2-[[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-[[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-2-[[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C27H32N5O3+ MolecularWeight: 474.57468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C27H31N5O3/c1-35-22-11-9-21(10-12-22)13-15-29-27(34)23-6-2-3-7-24(23)30-26(33)20-31-16-18-32(19-17-31)25-8-4-5-14-28-25/h2-12,14H,13,15-20H2,1H3,(H,29,34)(H,30,33)/p+1