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

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-oxo-7-phenyl-chromen-6-olate CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-2-oxo-7-phenyl-1-benzopyran-6-olate IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-oxo-7-phenylchromen-6-olate Traditional Name: 2-keto-7-phenyl-4-[(4-piperonylpiperazin-1-ium-1-yl)methyl]chromen-6-olate Formula: C28H26N2O5 MolecularWeight: 470.51644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H26N2O5/c31-24-14-23-21(13-28(32)35-26(23)15-22(24)20-4-2-1-3-5-20)17-30-10-8-29(9-11-30)16-19-6-7-25-27(12-19)34-18-33-25/h1-7,12-15,31H,8-11,16-18H2