2-chloranyl-7-cyclopropyl-7-oxidanidyl-N-(1-phenylethyl)-4H-thieno[2,3-b]pyridin-7-ium-5-carboxamide

Systemtic Name: 2-chloranyl-7-cyclopropyl-7-oxidanidyl-N-(1-phenylethyl)-4H-thieno[2,3-b]pyridin-7-ium-5-carboxamide Openeye Name: 2-chloro-7-cyclopropyl-7-oxido-N-(1-phenylethyl)-4H-thieno[2,3-b]pyridin-7-ium-5-carboxamide CAS Name: 2-chloro-7-cyclopropyl-7-oxido-N-(1-phenylethyl)-4H-thieno[2,3-b]pyridin-7-ium-5-carboxamide IUPAC Name: 2-chloro-7-cyclopropyl-7-oxido-N-(1-phenylethyl)-4H-thieno[2,3-b]pyridin-7-ium-5-carboxamide Traditional Name: 2-chloro-7-cyclopropyl-7-oxido-N-(1-phenylethyl)-4H-thieno[2,3-b]pyridin-7-ium-5-carboxamide Formula: C19H19ClN2O2S MolecularWeight: 374.88436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=C[N+](C3=C(C2)C=C(S3)Cl)(C4CC4)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=C[N+](C3=C(C2)C=C(S3)Cl)(C4CC4)[O-]

InChI

InChI=1S/C19H19ClN2O2S/c1-12(13-5-3-2-4-6-13)21-18(23)15-9-14-10-17(20)25-19(14)22(24,11-15)16-7-8-16/h2-6,10-12,16H,7-9H2,1H3,(H,21,23)