2-[2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidin-1-iumyl]ethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-(2-keto-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Formula: C19H22N5O3S+ MolecularWeight: 400.47468

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C19H21N5O3S/c20-17(26)13-7-10-28-18(13)22-16(25)11-23-8-5-12(6-9-23)24-15-4-2-1-3-14(15)21-19(24)27/h1-4,7,10,12H,5-6,8-9,11H2,(H2,20,26)(H,21,27)(H,22,25)/p+1