8-[(4-phenylpiperazin-1-ium-1-yl)methyl]-[1,3]dioxolo[4,5-g]chromen-6-one

Systemtic Name: 8-[(4-phenylpiperazin-1-ium-1-yl)methyl]-[1,3]dioxolo[4,5-g]chromen-6-one Openeye Name: 8-[(4-phenylpiperazin-1-ium-1-yl)methyl]-[1,3]dioxolo[4,5-g]chromen-6-one CAS Name: 8-[(4-phenyl-1-piperazin-1-iumyl)methyl]-[1,3]dioxolo[4,5-g][1]benzopyran-6-one IUPAC Name: 8-[(4-phenylpiperazin-1-ium-1-yl)methyl]-[1,3]dioxolo[4,5-g]chromen-6-one Traditional Name: 8-[(4-phenylpiperazin-1-ium-1-yl)methyl]-[1,3]dioxolo[4,5-g]chromen-6-one Formula: C21H21N2O4+ MolecularWeight: 365.40244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC4=C(C=C23)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC4=C(C=C23)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C21H20N2O4/c24-21-10-15(17-11-19-20(26-14-25-19)12-18(17)27-21)13-22-6-8-23(9-7-22)16-4-2-1-3-5-16/h1-5,10-12H,6-9,13-14H2/p+1