3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5,8-dimethoxy-2-methyl-1H-quinolin-4-one

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5,8-dimethoxy-2-methyl-1H-quinolin-4-one Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5,8-dimethoxy-2-methyl-1H-quinolin-4-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-5,8-dimethoxy-2-methyl-1H-quinolin-4-one IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5,8-dimethoxy-2-methyl-1H-quinolin-4-one Traditional Name: 5,8-dimethoxy-2-methyl-3-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-4-quinolone Formula: C25H31N3O5+2 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C=CC(=C2N1)OC)OC)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=O)C2=C(C=CC(=C2N1)OC)OC)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H29N3O5/c1-16-18(25(29)23-20(30-2)6-7-21(31-3)24(23)26-16)14-28-10-8-27(9-11-28)13-17-4-5-19-22(12-17)33-15-32-19/h4-7,12H,8-11,13-15H2,1-3H3,(H,26,29)/p+2