3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2,5,7-trimethyl-1H-quinolin-4-one

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2,5,7-trimethyl-1H-quinolin-4-one Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2,5,7-trimethyl-1H-quinolin-4-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2,5,7-trimethyl-1H-quinolin-4-one IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2,5,7-trimethyl-1H-quinolin-4-one Traditional Name: 2,5,7-trimethyl-3-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-4-quinolone Formula: C25H31N3O3+2 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C)C

InChI

InChI=1S/C25H29N3O3/c1-16-10-17(2)24-21(11-16)26-18(3)20(25(24)29)14-28-8-6-27(7-9-28)13-19-4-5-22-23(12-19)31-15-30-22/h4-5,10-12H,6-9,13-15H2,1-3H3,(H,26,29)/p+2