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

Systemtic Name: 2,3,5-trimethyl-6-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]furo[3,2-g]chromen-7-one Openeye Name: 2,3,5-trimethyl-6-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]furo[3,2-g]chromen-7-one CAS Name: 2,3,5-trimethyl-6-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-7-furo[3,2-g][1]benzopyranone IUPAC Name: 2,3,5-trimethyl-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]-2,3,5-trimethyl-furo[3,2-g]chromen-7-one Formula: C26H28N3O4+ MolecularWeight: 446.51822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C)C

Isomeric SMILES

CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C)C

InChI

InChI=1S/C26H27N3O4/c1-16-18(3)32-22-15-23-21(14-20(16)22)17(2)19(26(31)33-23)7-8-25(30)29-12-10-28(11-13-29)24-6-4-5-9-27-24/h4-6,9,14-15H,7-8,10-13H2,1-3H3/p+1