methyl-[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: methyl-[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl]-(thiophen-3-ylmethyl)azanium Openeye Name: [(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: methyl-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]-(3-thiophenylmethyl)ammonium IUPAC Name: methyl-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]-(thiophen-3-ylmethyl)azanium Traditional Name: [(1S)-2-cumidino-2-keto-1-methyl-ethyl]-methyl-(3-thenyl)ammonium Formula: C18H25N2OS+ MolecularWeight: 317.4689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C)[NH+](C)CC2=CSC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)[NH+](C)CC2=CSC=C2

InChI

InChI=1S/C18H24N2OS/c1-13(2)16-5-7-17(8-6-16)19-18(21)14(3)20(4)11-15-9-10-22-12-15/h5-10,12-14H,11H2,1-4H3,(H,19,21)/p+1/t14-/m0/s1