N-[(7-chloranyl-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(7-chloranyl-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[[7-chloro-5-(3-thienyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[[7-chloro-5-(3-thiophenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[[7-chloro-5-(3-thienyl)coumaran-2-yl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C19H15ClN2O3S MolecularWeight: 386.852

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2Cl)C3=CSC=C3)CNC(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

C1C(OC2=C1C=C(C=C2Cl)C3=CSC=C3)CNC(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C19H15ClN2O3S/c20-17-8-14(13-3-5-26-11-13)6-15-7-16(25-18(15)17)9-21-19(23)12-2-1-4-22(24)10-12/h1-6,8,10-11,16H,7,9H2,(H,21,23)