2-[4-[[[(2S,3R)-1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl]azaniumyl]methyl]phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-[[[(2S,3R)-1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl]azaniumyl]methyl]phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[4-[[[(1S,2R)-1-carbamoyl-2-hydroxy-propyl]ammonio]methyl]phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[4-[[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]ammonio]methyl]phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[4-[[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]azaniumyl]methyl]phenoxy]ethyl-dimethylazanium Traditional Name: 2-[4-[[[(1S,2R)-1-carbamoyl-2-hydroxy-propyl]ammonio]methyl]phenoxy]ethyl-dimethyl-ammonium Formula: C15H27N3O3+2 MolecularWeight: 297.39318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N)[NH2+]CC1=CC=C(C=C1)OCC[NH+](C)C)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N)[NH2+]CC1=CC=C(C=C1)OCC[NH+](C)C)O

InChI

InChI=1S/C15H25N3O3/c1-11(19)14(15(16)20)17-10-12-4-6-13(7-5-12)21-9-8-18(2)3/h4-7,11,14,17,19H,8-10H2,1-3H3,(H2,16,20)/p+2/t11-,14+/m1/s1