3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylchromen-4-one

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylchromen-4-one Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]chromen-4-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-4-one IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]chromen-4-one Traditional Name: 3-(4-piperonylpiperazin-4-ium-1-carbonyl)chromone Formula: C22H21N2O5+ MolecularWeight: 393.41254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=COC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=COC5=CC=CC=C5C4=O

InChI

InChI=1S/C22H20N2O5/c25-21-16-3-1-2-4-18(16)27-13-17(21)22(26)24-9-7-23(8-10-24)12-15-5-6-19-20(11-15)29-14-28-19/h1-6,11,13H,7-10,12,14H2/p+1