3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-4-oxidanylidene-1H-quinoline-8-carboxylate

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-4-oxidanylidene-1H-quinoline-8-carboxylate Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-4-oxo-1H-quinoline-8-carboxylate CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2-methyl-4-oxo-1H-quinoline-8-carboxylate IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-4-oxo-1H-quinoline-8-carboxylate Traditional Name: 4-keto-2-methyl-3-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-1H-quinoline-8-carboxylate Formula: C24H26N3O5+ MolecularWeight: 436.48034

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H25N3O5/c1-15-19(23(28)17-3-2-4-18(24(29)30)22(17)25-15)13-27-9-7-26(8-10-27)12-16-5-6-20-21(11-16)32-14-31-20/h2-6,11H,7-10,12-14H2,1H3,(H,25,28)(H,29,30)/p+1