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

Systemtic Name: methyl-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]-(thiophen-3-ylmethyl)azanium Openeye Name: [2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-(3-thiophenylmethyl)ammonium IUPAC Name: methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-(thiophen-3-ylmethyl)azanium Traditional Name: [2-[[(1S)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl]-methyl-(3-thenyl)ammonium Formula: C18H23N2O2S+ MolecularWeight: 331.45242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+](C)CC2=CSC=C2

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+](C)CC2=CSC=C2

InChI

InChI=1S/C18H22N2O2S/c1-14(21)17(10-15-6-4-3-5-7-15)19-18(22)12-20(2)11-16-8-9-23-13-16/h3-9,13,17H,10-12H2,1-2H3,(H,19,22)/p+1/t17-/m0/s1