2-hydroxyethyl-methyl-[[6-oxidanylidene-5-[[(1S)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyridin-2-yl]methyl]azanium

Systemtic Name: 2-hydroxyethyl-methyl-[[6-oxidanylidene-5-[[(1S)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyridin-2-yl]methyl]azanium Openeye Name: 2-hydroxyethyl-methyl-[[6-oxo-5-[[(1S)-1-(2-thienyl)ethyl]carbamoyl]-1H-pyridin-2-yl]methyl]ammonium CAS Name: 2-hydroxyethyl-methyl-[[6-oxo-5-[oxo-[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1H-pyridin-2-yl]methyl]ammonium IUPAC Name: 2-hydroxyethyl-methyl-[[6-oxo-5-[[(1S)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyridin-2-yl]methyl]azanium Traditional Name: 2-hydroxyethyl-[[6-keto-5-[[(1S)-1-(2-thienyl)ethyl]carbamoyl]-1H-pyridin-2-yl]methyl]-methyl-ammonium Formula: C16H22N3O3S+ MolecularWeight: 336.42918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C2=CC=C(NC2=O)C[NH+](C)CCO

Isomeric SMILES

C[C@@H](C1=CC=CS1)NC(=O)C2=CC=C(NC2=O)C[NH+](C)CCO

InChI

InChI=1S/C16H21N3O3S/c1-11(14-4-3-9-23-14)17-15(21)13-6-5-12(18-16(13)22)10-19(2)7-8-20/h3-6,9,11,20H,7-8,10H2,1-2H3,(H,17,21)(H,18,22)/p+1/t11-/m0/s1