3,5,9-trimethyl-6-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]furo[3,2-g]chromen-7-one

Systemtic Name: 3,5,9-trimethyl-6-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]furo[3,2-g]chromen-7-one Openeye Name: 3,5,9-trimethyl-6-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]furo[3,2-g]chromen-7-one CAS Name: 3,5,9-trimethyl-6-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-7-furo[3,2-g][1]benzopyranone IUPAC Name: 3,5,9-trimethyl-6-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]furo[3,2-g]chromen-7-one Traditional Name: 6-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-3,5,9-trimethyl-furo[3,2-g]chromen-7-one Formula: C25H26N3O4+ MolecularWeight: 432.49164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C)C

Isomeric SMILES

CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C)C

InChI

InChI=1S/C25H25N3O4/c1-15-14-31-23-17(3)24-19(12-18(15)23)16(2)20(25(30)32-24)13-22(29)28-10-8-27(9-11-28)21-6-4-5-7-26-21/h4-7,12,14H,8-11,13H2,1-3H3/p+1