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

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-chloranyl-8-methoxy-2-methyl-1H-quinolin-4-one Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-chloro-8-methoxy-2-methyl-1H-quinolin-4-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-5-chloro-8-methoxy-2-methyl-1H-quinolin-4-one IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-chloro-8-methoxy-2-methyl-1H-quinolin-4-one Traditional Name: 5-chloro-8-methoxy-2-methyl-3-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-4-quinolone Formula: C24H28ClN3O4+2 MolecularWeight: 457.94982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C=CC(=C2N1)OC)Cl)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=O)C2=C(C=CC(=C2N1)OC)Cl)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H26ClN3O4/c1-15-17(24(29)22-18(25)4-6-20(30-2)23(22)26-15)13-28-9-7-27(8-10-28)12-16-3-5-19-21(11-16)32-14-31-19/h3-6,11H,7-10,12-14H2,1-2H3,(H,26,29)/p+2