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

Systemtic Name: 4-morpholin-4-yl-N-[2-(phenylmethylsulfanyl)ethyl]pyridin-1-ium-2-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-4-morpholino-pyridin-1-ium-2-carboxamide CAS Name: 4-(4-morpholinyl)-N-[2-(phenylmethylthio)ethyl]-2-pyridin-1-iumcarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-morpholin-4-ylpyridin-1-ium-2-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-4-morpholino-pyridin-1-ium-2-carboxamide Formula: C19H24N3O2S+ MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=[NH+]C=C2)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1C2=CC(=[NH+]C=C2)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2S/c23-19(21-8-13-25-15-16-4-2-1-3-5-16)18-14-17(6-7-20-18)22-9-11-24-12-10-22/h1-7,14H,8-13,15H2,(H,21,23)/p+1