(2-azanyl-2-oxidanylidene-ethyl)-[(4-methylsulfanylphenyl)methyl]-propan-2-yl-azanium

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[(4-methylsulfanylphenyl)methyl]-propan-2-yl-azanium Openeye Name: (2-amino-2-oxo-ethyl)-isopropyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: (2-amino-2-oxoethyl)-[[4-(methylthio)phenyl]methyl]-propan-2-ylammonium IUPAC Name: (2-amino-2-oxoethyl)-[(4-methylsulfanylphenyl)methyl]-propan-2-ylazanium Traditional Name: (2-amino-2-keto-ethyl)-isopropyl-[4-(methylthio)benzyl]ammonium Formula: C13H21N2OS+ MolecularWeight: 253.38364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2OS/c1-10(2)15(9-13(14)16)8-11-4-6-12(17-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,14,16)/p+1