1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]cinnolin-4-one

Systemtic Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]cinnolin-4-one Openeye Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]cinnolin-4-one CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-4-cinnolinone IUPAC Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]cinnolin-4-one Traditional Name: 1-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]cinnolin-4-one Formula: C21H24N4O3+2 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CN4C5=CC=CC=C5C(=O)C=N4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CN4C5=CC=CC=C5C(=O)C=N4

InChI

InChI=1S/C21H22N4O3/c26-19-12-22-25(18-4-2-1-3-17(18)19)14-24-9-7-23(8-10-24)13-16-5-6-20-21(11-16)28-15-27-20/h1-6,11-12H,7-10,13-15H2/p+2