1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-piperidin-1-yl-ethane-1,2-dione

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-piperidin-1-yl-ethane-1,2-dione Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(1-piperidyl)ethane-1,2-dione CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-(1-piperidinyl)ethane-1,2-dione IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-piperidin-1-ylethane-1,2-dione Traditional Name: 1-piperidino-2-(4-piperonylpiperazin-4-ium-1-yl)ethane-1,2-dione Formula: C19H26N3O4+ MolecularWeight: 360.42744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)C(=O)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H25N3O4/c23-18(21-6-2-1-3-7-21)19(24)22-10-8-20(9-11-22)13-15-4-5-16-17(12-15)26-14-25-16/h4-5,12H,1-3,6-11,13-14H2/p+1