methyl-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-3-ylmethyl)azanium Openeye Name: methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(3-thienylmethyl)ammonium CAS Name: methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(3-thiophenylmethyl)ammonium IUPAC Name: methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-3-ylmethyl)azanium Traditional Name: [2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl]-methyl-(3-thenyl)ammonium Formula: C16H21N2OS+ MolecularWeight: 289.41574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2OS/c1-13(15-6-4-3-5-7-15)17-16(19)11-18(2)10-14-8-9-20-12-14/h3-9,12-13H,10-11H2,1-2H3,(H,17,19)/p+1/t13-/m0/s1