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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C

Isomeric SMILES

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C

InChI

InChI=1S/C25H25N3O4/c1-16-15-31-21-14-22-20(13-19(16)21)17(2)18(25(30)32-22)6-7-24(29)28-11-9-27(10-12-28)23-5-3-4-8-26-23/h3-5,8,13-15H,6-7,9-12H2,1-2H3/p+1