ethyl 4-[[6-oxidanylidene-5-(thiophen-3-ylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[6-oxidanylidene-5-(thiophen-3-ylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[6-oxo-5-(3-thienylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[6-oxo-5-[oxo-(3-thiophenylmethylamino)methyl]-1H-pyridin-2-yl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-oxo-5-(thiophen-3-ylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[6-keto-5-(3-thenylcarbamoyl)-1H-pyridin-2-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CSC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CSC=C3

InChI

InChI=1S/C19H24N4O4S/c1-2-27-19(26)23-8-6-22(7-9-23)12-15-3-4-16(18(25)21-15)17(24)20-11-14-5-10-28-13-14/h3-5,10,13H,2,6-9,11-12H2,1H3,(H,20,24)(H,21,25)/p+1