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

Systemtic Name: propyl 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C27H33N3O5+2 MolecularWeight: 479.56802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCOC(=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/C27H31N3O5/c1-3-12-33-27(32)20-5-6-23-21(14-20)26(31)22(18(2)28-23)16-30-10-8-29(9-11-30)15-19-4-7-24-25(13-19)35-17-34-24/h4-7,13-14H,3,8-12,15-17H2,1-2H3,(H,28,31)/p+2