2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-N-(3-methylphenyl)benzamide

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-N-(3-methylphenyl)benzamide Openeye Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(m-tolyl)benzamide CAS Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-(3-methylphenyl)benzamide IUPAC Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide Traditional Name: N-(m-tolyl)-2-[[2-(4-piperonylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C28H31N4O4+ MolecularWeight: 487.57014

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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)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H30N4O4/c1-20-5-4-6-22(15-20)29-28(34)23-7-2-3-8-24(23)30-27(33)18-32-13-11-31(12-14-32)17-21-9-10-25-26(16-21)36-19-35-25/h2-10,15-16H,11-14,17-19H2,1H3,(H,29,34)(H,30,33)/p+1