N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-ethyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-ethyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1SC=C2)C(CNC(=O)C3=C[N+](=CC=C3)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1SC=C2)C(CNC(=O)C3=C[N+](=CC=C3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c25-21(18-7-4-10-24(26)15-18)22-13-19(16-5-2-1-3-6-16)23-11-8-20-17(14-23)9-12-27-20/h1-7,9-10,12,15,19H,8,11,13-14H2,(H,22,25)