(Z)-4,4-dimethyl-1-phenylazanyl-2-pyridin-1-ium-1-yl-1-sulfanyl-pent-1-en-3-one

Systemtic Name: (Z)-4,4-dimethyl-1-phenylazanyl-2-pyridin-1-ium-1-yl-1-sulfanyl-pent-1-en-3-one Openeye Name: (Z)-1-anilino-4,4-dimethyl-2-pyridin-1-ium-1-yl-1-sulfanyl-pent-1-en-3-one CAS Name: (Z)-1-anilino-1-mercapto-4,4-dimethyl-2-(1-pyridin-1-iumyl)-1-penten-3-one IUPAC Name: (Z)-1-anilino-4,4-dimethyl-2-pyridin-1-ium-1-yl-1-sulfanylpent-1-en-3-one Traditional Name: (Z)-1-anilino-1-mercapto-4,4-dimethyl-2-pyridin-1-ium-1-yl-pent-1-en-3-one Formula: C18H21N2OS+ MolecularWeight: 313.43714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=C(NC1=CC=CC=C1)S)[N+]2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)/C(=C(\NC1=CC=CC=C1)/S)/[N+]2=CC=CC=C2

InChI

InChI=1S/C18H20N2OS/c1-18(2,3)16(21)15(20-12-8-5-9-13-20)17(22)19-14-10-6-4-7-11-14/h4-13H,1-3H3,(H-,19,21,22)/p+1