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

Systemtic Name: 3-tert-butyl-5-methyl-6-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]furo[3,2-g]chromen-7-one Openeye Name: 3-tert-butyl-5-methyl-6-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]furo[3,2-g]chromen-7-one CAS Name: 3-tert-butyl-5-methyl-6-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-7-furo[3,2-g][1]benzopyranone IUPAC Name: 3-tert-butyl-5-methyl-6-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]furo[3,2-g]chromen-7-one Traditional Name: 3-tert-butyl-6-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-5-methyl-furo[3,2-g]chromen-7-one Formula: C27H30N3O4+ MolecularWeight: 460.5448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4/c1-17-18-13-20-21(27(2,3)4)16-33-22(20)15-23(18)34-26(32)19(17)14-25(31)30-11-9-29(10-12-30)24-7-5-6-8-28-24/h5-8,13,15-16H,9-12,14H2,1-4H3/p+1