ethyl-(2-hydroxyethyl)-[[6-oxidanylidene-5-(thiophen-3-ylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]azanium

Systemtic Name: ethyl-(2-hydroxyethyl)-[[6-oxidanylidene-5-(thiophen-3-ylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]azanium Openeye Name: ethyl-(2-hydroxyethyl)-[[6-oxo-5-(3-thienylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]ammonium CAS Name: ethyl-(2-hydroxyethyl)-[[6-oxo-5-[oxo-(3-thiophenylmethylamino)methyl]-1H-pyridin-2-yl]methyl]ammonium IUPAC Name: ethyl-(2-hydroxyethyl)-[[6-oxo-5-(thiophen-3-ylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]azanium Traditional Name: ethyl-(2-hydroxyethyl)-[[6-keto-5-(3-thenylcarbamoyl)-1H-pyridin-2-yl]methyl]ammonium Formula: C16H22N3O3S+ MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCO)CC1=CC=C(C(=O)N1)C(=O)NCC2=CSC=C2

Isomeric SMILES

CC[NH+](CCO)CC1=CC=C(C(=O)N1)C(=O)NCC2=CSC=C2

InChI

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