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

Systemtic Name: 6-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-7-methoxy-4-methyl-chromen-2-one Openeye Name: 6-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-7-methoxy-4-methyl-chromen-2-one CAS Name: 6-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-7-methoxy-4-methyl-1-benzopyran-2-one IUPAC Name: 6-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-7-methoxy-4-methylchromen-2-one Traditional Name: 6-[3-keto-3-(4-piperonylpiperazin-4-ium-1-yl)propyl]-7-methoxy-4-methyl-coumarin Formula: C26H29N2O6+ MolecularWeight: 465.51826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O6/c1-17-11-26(30)34-23-14-22(31-2)19(13-20(17)23)4-6-25(29)28-9-7-27(8-10-28)15-18-3-5-21-24(12-18)33-16-32-21/h3,5,11-14H,4,6-10,15-16H2,1-2H3/p+1