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

Systemtic Name: methyl-[[6-oxidanylidene-5-[[(1S)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyridin-2-yl]methyl]-(1H-pyrazol-5-ylmethyl)azanium Openeye Name: methyl-[[6-oxo-5-[[(1S)-1-(2-thienyl)ethyl]carbamoyl]-1H-pyridin-2-yl]methyl]-(1H-pyrazol-5-ylmethyl)ammonium CAS Name: methyl-[[6-oxo-5-[oxo-[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1H-pyridin-2-yl]methyl]-(1H-pyrazol-5-ylmethyl)ammonium IUPAC Name: methyl-[[6-oxo-5-[[(1S)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyridin-2-yl]methyl]-(1H-pyrazol-5-ylmethyl)azanium Traditional Name: [6-keto-5-[[(1S)-1-(2-thienyl)ethyl]carbamoyl]-1H-pyridin-2-yl]methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium Formula: C18H22N5O2S+ MolecularWeight: 372.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C2=CC=C(NC2=O)C[NH+](C)CC3=CC=NN3

Isomeric SMILES

C[C@@H](C1=CC=CS1)NC(=O)C2=CC=C(NC2=O)C[NH+](C)CC3=CC=NN3

InChI

InChI=1S/C18H21N5O2S/c1-12(16-4-3-9-26-16)20-17(24)15-6-5-13(21-18(15)25)10-23(2)11-14-7-8-19-22-14/h3-9,12H,10-11H2,1-2H3,(H,19,22)(H,20,24)(H,21,25)/p+1/t12-/m0/s1