trimethyl-[(2R)-2-[[3-methyl-5-[(3-methylphenoxy)methyl]furan-2-yl]carbonylamino]-4-oxidanyl-4-oxidanylidene-butyl]azanium

Systemtic Name: trimethyl-[(2R)-2-[[3-methyl-5-[(3-methylphenoxy)methyl]furan-2-yl]carbonylamino]-4-oxidanyl-4-oxidanylidene-butyl]azanium Openeye Name: [(2R)-4-hydroxy-2-[[3-methyl-5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]-4-oxo-butyl]-trimethyl-ammonium CAS Name: [(2R)-4-hydroxy-2-[[[3-methyl-5-[(3-methylphenoxy)methyl]-2-furanyl]-oxomethyl]amino]-4-oxobutyl]-trimethylammonium IUPAC Name: [(2R)-4-hydroxy-2-[[3-methyl-5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]-4-oxobutyl]-trimethylazanium Traditional Name: [(2R)-4-hydroxy-4-keto-2-[[3-methyl-5-[(3-methylphenoxy)methyl]-2-furoyl]amino]butyl]-trimethyl-ammonium Formula: C21H29N2O5+ MolecularWeight: 389.46536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=CC(=C(O2)C(=O)NC(CC(=O)O)C[N+](C)(C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=CC(=C(O2)C(=O)N[C@H](CC(=O)O)C[N+](C)(C)C)C

InChI

InChI=1S/C21H28N2O5/c1-14-7-6-8-17(9-14)27-13-18-10-15(2)20(28-18)21(26)22-16(11-19(24)25)12-23(3,4)5/h6-10,16H,11-13H2,1-5H3,(H-,22,24,25,26)/p+1/t16-/m1/s1