N-[[5-chloranyl-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[[5-chloranyl-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[[5-chloro-7-(1H-indol-5-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[[5-chloro-7-(1H-indol-5-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[[5-chloro-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[[5-chloro-7-(1H-indol-5-yl)coumaran-2-yl]methyl]-1-oxido-pyridin-1-ium-4-carboxamide Formula: C23H18ClN3O3 MolecularWeight: 419.86032

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2C3=CC4=C(C=C3)NC=C4)Cl)CNC(=O)C5=CC=[N+](C=C5)[O-]

Isomeric SMILES

C1C(OC2=C1C=C(C=C2C3=CC4=C(C=C3)NC=C4)Cl)CNC(=O)C5=CC=[N+](C=C5)[O-]

InChI

InChI=1S/C23H18ClN3O3/c24-18-10-17-11-19(13-26-23(28)14-4-7-27(29)8-5-14)30-22(17)20(12-18)15-1-2-21-16(9-15)3-6-25-21/h1-10,12,19,25H,11,13H2,(H,26,28)