methyl 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylate

Systemtic Name: methyl 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: methyl 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-methyl-3-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-1H-quinoline-6-carboxylic acid methyl ester Formula: C25H29N3O5+2 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H27N3O5/c1-16-20(24(29)19-12-18(25(30)31-2)4-5-21(19)26-16)14-28-9-7-27(8-10-28)13-17-3-6-22-23(11-17)33-15-32-22/h3-6,11-12H,7-10,13-15H2,1-2H3,(H,26,29)/p+2