3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-ethanoyl-2-methyl-1H-quinolin-4-one

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-ethanoyl-2-methyl-1H-quinolin-4-one Openeye Name: 6-acetyl-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-1H-quinolin-4-one CAS Name: 6-acetyl-3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2-methyl-1H-quinolin-4-one IUPAC Name: 6-acetyl-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-1H-quinolin-4-one Traditional Name: 6-acetyl-2-methyl-3-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-4-quinolone Formula: C25H29N3O4+2 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)C)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)C)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N3O4/c1-16-21(25(30)20-12-19(17(2)29)4-5-22(20)26-16)14-28-9-7-27(8-10-28)13-18-3-6-23-24(11-18)32-15-31-23/h3-6,11-12H,7-10,13-15H2,1-2H3,(H,26,30)/p+2