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

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2,8-dimethyl-1H-quinolin-4-one Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2,8-dimethyl-1H-quinolin-4-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2,8-dimethyl-1H-quinolin-4-one IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2,8-dimethyl-1H-quinolin-4-one Traditional Name: 2,8-dimethyl-3-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-4-quinolone Formula: C24H29N3O3+2 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C24H27N3O3/c1-16-4-3-5-19-23(16)25-17(2)20(24(19)28)14-27-10-8-26(9-11-27)13-18-6-7-21-22(12-18)30-15-29-21/h3-7,12H,8-11,13-15H2,1-2H3,(H,25,28)/p+2