N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[2-(dimethylamino)-2-(3-thiophenyl)ethyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=C[N+](=CC=C1)[O-])C2=CSC=C2

Isomeric SMILES

CN(C)C(CNC(=O)C1=C[N+](=CC=C1)[O-])C2=CSC=C2

InChI

InChI=1S/C14H17N3O2S/c1-16(2)13(12-5-7-20-10-12)8-15-14(18)11-4-3-6-17(19)9-11/h3-7,9-10,13H,8H2,1-2H3,(H,15,18)