(2,4-dimethylphenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl]azanium

Systemtic Name: (2,4-dimethylphenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl]azanium Openeye Name: (2,4-dimethylphenyl)methyl-methyl-[(1S)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: (2,4-dimethylphenyl)methyl-methyl-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]ammonium IUPAC Name: (2,4-dimethylphenyl)methyl-methyl-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]azanium Traditional Name: (2,4-dimethylbenzyl)-[(1S)-2-keto-1-methyl-2-(2-thenylamino)ethyl]-methyl-ammonium Formula: C18H25N2OS+ MolecularWeight: 317.4689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)C(C)C(=O)NCC2=CC=CS2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)[C@@H](C)C(=O)NCC2=CC=CS2)C

InChI

InChI=1S/C18H24N2OS/c1-13-7-8-16(14(2)10-13)12-20(4)15(3)18(21)19-11-17-6-5-9-22-17/h5-10,15H,11-12H2,1-4H3,(H,19,21)/p+1/t15-/m0/s1