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

Systemtic Name: 3-tert-butyl-6-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-5-methyl-furo[3,2-g]chromen-7-one Openeye Name: 3-tert-butyl-6-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-5-methyl-furo[3,2-g]chromen-7-one CAS Name: 3-tert-butyl-6-[3-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-5-methyl-7-furo[3,2-g][1]benzopyranone IUPAC Name: 3-tert-butyl-6-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-5-methylfuro[3,2-g]chromen-7-one Traditional Name: 3-tert-butyl-6-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-keto-propyl]-5-methyl-furo[3,2-g]chromen-7-one Formula: C25H33N2O5+ MolecularWeight: 441.53992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CCC(=O)N4CC[NH+](CC4)CCO

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CCC(=O)N4CC[NH+](CC4)CCO

InChI

InChI=1S/C25H32N2O5/c1-16-17(5-6-23(29)27-9-7-26(8-10-27)11-12-28)24(30)32-22-14-21-19(13-18(16)22)20(15-31-21)25(2,3)4/h13-15,28H,5-12H2,1-4H3/p+1