N-(4-ethoxyphenyl)-2-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-2-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-p-phenetyl-benzamide Formula: C27H31N4O4+ MolecularWeight: 475.55944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C27H30N4O4/c1-2-35-21-13-11-20(12-14-21)28-27(34)22-7-3-4-8-23(22)29-26(33)19-30-15-17-31(18-16-30)24-9-5-6-10-25(24)32/h3-14,32H,2,15-19H2,1H3,(H,28,34)(H,29,33)/p+1