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

Systemtic Name: 3,5,9-trimethyl-6-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]furo[3,2-g]chromen-7-one Openeye Name: 3,5,9-trimethyl-6-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]furo[3,2-g]chromen-7-one CAS Name: 3,5,9-trimethyl-6-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-7-furo[3,2-g][1]benzopyranone IUPAC Name: 3,5,9-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]-3,5,9-trimethyl-furo[3,2-g]chromen-7-one Formula: C26H28N3O4+ MolecularWeight: 446.51822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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