4-morpholin-4-yl-N-[2-(phenylmethylsulfanyl)phenyl]pyridin-1-ium-2-carboxamide

Systemtic Name: 4-morpholin-4-yl-N-[2-(phenylmethylsulfanyl)phenyl]pyridin-1-ium-2-carboxamide Openeye Name: N-(2-benzylsulfanylphenyl)-4-morpholino-pyridin-1-ium-2-carboxamide CAS Name: 4-(4-morpholinyl)-N-[2-(phenylmethylthio)phenyl]-2-pyridin-1-iumcarboxamide IUPAC Name: N-(2-benzylsulfanylphenyl)-4-morpholin-4-ylpyridin-1-ium-2-carboxamide Traditional Name: N-[2-(benzylthio)phenyl]-4-morpholino-pyridin-1-ium-2-carboxamide Formula: C23H24N3O2S+ MolecularWeight: 406.52056

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=[NH+]C=C2)C(=O)NC3=CC=CC=C3SCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=CC(=[NH+]C=C2)C(=O)NC3=CC=CC=C3SCC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O2S/c27-23(21-16-19(10-11-24-21)26-12-14-28-15-13-26)25-20-8-4-5-9-22(20)29-17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,25,27)/p+1