(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-methyl-phenethyl-sulfanium

Systemtic Name: (3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-methyl-phenethyl-sulfanium Openeye Name: (3-amino-4-hydroxy-4-oxo-butyl)-methyl-phenethyl-sulfonium CAS Name: (3-amino-4-hydroxy-4-oxobutyl)-methyl-phenethylsulfonium IUPAC Name: (3-amino-4-hydroxy-4-oxobutyl)-methyl-phenethylsulfanium Traditional Name: (3-amino-4-hydroxy-4-keto-butyl)-methyl-phenethyl-sulfonium Formula: C13H20NO2S+ MolecularWeight: 254.3684

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCC1=CC=CC=C1)CCC(C(=O)O)N

Isomeric SMILES

C[S+](CCC1=CC=CC=C1)CCC(C(=O)O)N

InChI

InChI=1S/C13H19NO2S/c1-17(10-8-12(14)13(15)16)9-7-11-5-3-2-4-6-11/h2-6,12H,7-10,14H2,1H3/p+1