[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(1S)-1-thiophen-2-ylethyl]azanium

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl]-methyl-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: [2-(2,3-dimethylanilino)-2-keto-ethyl]-methyl-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C17H23N2OS+ MolecularWeight: 303.44232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+](C)C(C)C2=CC=CS2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+](C)[C@@H](C)C2=CC=CS2)C

InChI

InChI=1S/C17H22N2OS/c1-12-7-5-8-15(13(12)2)18-17(20)11-19(4)14(3)16-9-6-10-21-16/h5-10,14H,11H2,1-4H3,(H,18,20)/p+1/t14-/m0/s1