2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(1-benzylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(1-benzylpiperidin-1-ium-4-yl)acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C26H36N4O3+2 MolecularWeight: 452.58904

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C26H34N4O3/c31-26(27-23-8-10-28(11-9-23)17-21-4-2-1-3-5-21)19-30-14-12-29(13-15-30)18-22-6-7-24-25(16-22)33-20-32-24/h1-7,16,23H,8-15,17-20H2,(H,27,31)/p+2