3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-chloranyl-2,8-dimethyl-1H-quinolin-4-one

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-chloranyl-2,8-dimethyl-1H-quinolin-4-one Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-chloro-2,8-dimethyl-1H-quinolin-4-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-7-chloro-2,8-dimethyl-1H-quinolin-4-one IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-chloro-2,8-dimethyl-1H-quinolin-4-one Traditional Name: 7-chloro-2,8-dimethyl-3-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-4-quinolone Formula: C24H28ClN3O3+2 MolecularWeight: 441.95042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O3/c1-15-20(25)5-4-18-23(15)26-16(2)19(24(18)29)13-28-9-7-27(8-10-28)12-17-3-6-21-22(11-17)31-14-30-21/h3-6,11H,7-10,12-14H2,1-2H3,(H,26,29)/p+2