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

Systemtic Name: ethyl 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H31N3O5+2 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C26H29N3O5/c1-3-32-26(31)19-5-6-22-20(13-19)25(30)21(17(2)27-22)15-29-10-8-28(9-11-29)14-18-4-7-23-24(12-18)34-16-33-23/h4-7,12-13H,3,8-11,14-16H2,1-2H3,(H,27,30)/p+2