(2-azanyl-2-sulfanylidene-ethyl)-methyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]azanium

Systemtic Name: (2-azanyl-2-sulfanylidene-ethyl)-methyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]azanium Openeye Name: (2-amino-2-thioxo-ethyl)-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium CAS Name: (2-amino-2-sulfanylideneethyl)-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium IUPAC Name: (2-amino-2-sulfanylideneethyl)-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium Traditional Name: (2-amino-2-thioxo-ethyl)-(2-keto-2-mesidino-ethyl)-methyl-ammonium Formula: C14H22N3OS+ MolecularWeight: 280.40898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3OS/c1-9-5-10(2)14(11(3)6-9)16-13(18)8-17(4)7-12(15)19/h5-6H,7-8H2,1-4H3,(H2,15,19)(H,16,18)/p+1