3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-6,7-dimethoxy-4-methyl-chromen-2-one

Systemtic Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-6,7-dimethoxy-4-methyl-chromen-2-one Openeye Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-6,7-dimethoxy-4-methyl-chromen-2-one CAS Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-6,7-dimethoxy-4-methyl-1-benzopyran-2-one IUPAC Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-6,7-dimethoxy-4-methylchromen-2-one Traditional Name: 3-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]-6,7-dimethoxy-4-methyl-coumarin Formula: C26H29N2O7+ MolecularWeight: 481.51766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)OC)OC)CC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)OC)OC)CC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28N2O7/c1-16-18-11-22(31-2)23(32-3)13-21(18)35-26(30)19(16)12-25(29)28-8-6-27(7-9-28)14-17-4-5-20-24(10-17)34-15-33-20/h4-5,10-11,13H,6-9,12,14-15H2,1-3H3/p+1