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

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-N-cyclopentyl-benzamide Openeye Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopentyl-benzamide CAS Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-cyclopentylbenzamide IUPAC Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide Traditional Name: N-cyclopentyl-2-[[2-(4-piperonylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C26H33N4O4+ MolecularWeight: 465.56462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H32N4O4/c31-25(28-22-8-4-3-7-21(22)26(32)27-20-5-1-2-6-20)17-30-13-11-29(12-14-30)16-19-9-10-23-24(15-19)34-18-33-23/h3-4,7-10,15,20H,1-2,5-6,11-14,16-18H2,(H,27,32)(H,28,31)/p+1