1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Traditional Name: 1-[(4-piperonylpiperazin-1-ium-1-yl)methyl]benzo[f]chromen-3-one Formula: C26H25N2O4+ MolecularWeight: 429.4877

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H24N2O4/c29-25-14-20(26-21-4-2-1-3-19(21)6-8-23(26)32-25)16-28-11-9-27(10-12-28)15-18-5-7-22-24(13-18)31-17-30-22/h1-8,13-14H,9-12,15-17H2/p+1