3-chloranyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzothiophene-2-carboxamide Formula: C19H19ClN3O2S+ MolecularWeight: 388.89106

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H18ClN3O2S/c20-17-14-3-1-2-4-15(14)26-18(17)19(24)22-12-13-5-6-16(21-11-13)23-7-9-25-10-8-23/h1-6,11H,7-10,12H2,(H,22,24)/p+1