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

Systemtic Name: 3-tert-butyl-5-methyl-6-[2-oxidanylidene-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethyl]furo[3,2-g]chromen-7-one Openeye Name: 3-tert-butyl-5-methyl-6-[2-oxo-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]furo[3,2-g]chromen-7-one CAS Name: 3-tert-butyl-5-methyl-6-[2-oxo-2-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]ethyl]-7-furo[3,2-g][1]benzopyranone IUPAC Name: 3-tert-butyl-5-methyl-6-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethyl]furo[3,2-g]chromen-7-one Traditional Name: 3-tert-butyl-6-[2-keto-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]-5-methyl-furo[3,2-g]chromen-7-one Formula: C29H34N3O4+ MolecularWeight: 488.59796

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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)N4CC[NH+](CC4)CCC5=CC=CC=N5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CC(=O)N4CC[NH+](CC4)CCC5=CC=CC=N5

InChI

InChI=1S/C29H33N3O4/c1-19-21-15-23-24(29(2,3)4)18-35-25(23)17-26(21)36-28(34)22(19)16-27(33)32-13-11-31(12-14-32)10-8-20-7-5-6-9-30-20/h5-7,9,15,17-18H,8,10-14,16H2,1-4H3/p+1