2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-2-yl)sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-2-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-2-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-2-yl)thio]-N-phenethylacetamide IUPAC Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-2-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-2-yl)thio]-N-phenethyl-acetamide Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)[NH+]=C(C(=C2)C#N)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(CC1)[NH+]=C(C(=C2)C#N)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3OS/c22-14-18-13-17-9-5-2-6-10-19(17)24-21(18)26-15-20(25)23-12-11-16-7-3-1-4-8-16/h1,3-4,7-8,13H,2,5-6,9-12,15H2,(H,23,25)/p+1