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

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5,7-dimethyl-chromen-2-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-5,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5,7-dimethylchromen-2-one Traditional Name: 5,7-dimethyl-4-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C24H28N2O4+2 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C24H26N2O4/c1-16-9-17(2)24-19(12-23(27)30-22(24)10-16)14-26-7-5-25(6-8-26)13-18-3-4-20-21(11-18)29-15-28-20/h3-4,9-12H,5-8,13-15H2,1-2H3/p+2