2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-6-methyl-chromen-4-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-6-methyl-chromen-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-6-methyl-chromen-4-one CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-6-methyl-1-benzopyran-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-6-methylchromen-4-one Traditional Name: 6-methyl-2-(4-piperonylpiperazin-4-ium-1-carbonyl)chromone Formula: C23H23N2O5+ MolecularWeight: 407.43912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N2O5/c1-15-2-4-19-17(10-15)18(26)12-22(30-19)23(27)25-8-6-24(7-9-25)13-16-3-5-20-21(11-16)29-14-28-20/h2-5,10-12H,6-9,13-14H2,1H3/p+1