trimethyl-[4-oxidanyl-4-oxidanylidene-2-[3-oxidanyl-4-[(2-oxidanyl-3-propanoyloxycarbonyl-naphthalen-1-yl)methyl]naphthalen-2-yl]carbonyloxy-butyl]azanium

Systemtic Name: trimethyl-[4-oxidanyl-4-oxidanylidene-2-[3-oxidanyl-4-[(2-oxidanyl-3-propanoyloxycarbonyl-naphthalen-1-yl)methyl]naphthalen-2-yl]carbonyloxy-butyl]azanium Openeye Name: [4-hydroxy-2-[3-hydroxy-4-[(2-hydroxy-3-propanoyloxycarbonyl-1-naphthyl)methyl]naphthalene-2-carbonyl]oxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [4-hydroxy-2-[[3-hydroxy-4-[[2-hydroxy-3-[oxo(1-oxopropoxy)methyl]-1-naphthalenyl]methyl]-2-naphthalenyl]-oxomethoxy]-4-oxobutyl]-trimethylammonium IUPAC Name: [4-hydroxy-2-[3-hydroxy-4-[(2-hydroxy-3-propanoyloxycarbonylnaphthalen-1-yl)methyl]naphthalene-2-carbonyl]oxy-4-oxobutyl]-trimethylazanium Traditional Name: [4-hydroxy-2-[3-hydroxy-4-[(2-hydroxy-3-propionyloxycarbonyl-1-naphthyl)methyl]-2-naphthoyl]oxy-4-keto-butyl]-trimethyl-ammonium Formula: C33H34NO9+ MolecularWeight: 588.62436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(=O)C1=CC2=CC=CC=C2C(=C1O)CC3=C(C(=CC4=CC=CC=C43)C(=O)OC(CC(=O)O)C[N+](C)(C)C)O

Isomeric SMILES

CCC(=O)OC(=O)C1=CC2=CC=CC=C2C(=C1O)CC3=C(C(=CC4=CC=CC=C43)C(=O)OC(CC(=O)O)C[N+](C)(C)C)O

InChI

InChI=1S/C33H33NO9/c1-5-29(37)43-33(41)27-15-20-11-7-9-13-23(20)25(31(27)39)17-24-22-12-8-6-10-19(22)14-26(30(24)38)32(40)42-21(16-28(35)36)18-34(2,3)4/h6-15,21H,5,16-18H2,1-4H3,(H2-,35,36,38,39,40,41)/p+1