N-[2-(1H-indol-3-yl)ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[2-(1H-indol-3-yl)ethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[2-(1H-indol-3-yl)ethyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H17N3O2S/c21-16(12-23-17-7-3-4-10-20(17)22)18-9-8-13-11-19-15-6-2-1-5-14(13)15/h1-7,10-11,19H,8-9,12H2,(H,18,21)