2-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-N-(3-methylphenyl)benzamide

Systemtic Name: 2-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-N-(3-methylphenyl)benzamide Openeye Name: 2-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(m-tolyl)benzamide CAS Name: 2-[[2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-(3-methylphenyl)benzamide IUPAC Name: 2-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide Traditional Name: 2-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(m-tolyl)benzamide Formula: C26H29N4O3+ MolecularWeight: 445.53346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C26H28N4O3/c1-19-7-6-8-20(17-19)27-26(33)21-9-2-3-10-22(21)28-25(32)18-29-13-15-30(16-14-29)23-11-4-5-12-24(23)31/h2-12,17,31H,13-16,18H2,1H3,(H,27,33)(H,28,32)/p+1