N-[(E)-2-(3-methyl-2-methylsulfanyl-1,8a-dihydrocyclohepta[d]imidazol-3-ium-6-yl)ethenyl]-N-phenyl-ethanamide

Systemtic Name: N-[(E)-2-(3-methyl-2-methylsulfanyl-1,8a-dihydrocyclohepta[d]imidazol-3-ium-6-yl)ethenyl]-N-phenyl-ethanamide Openeye Name: N-[(E)-2-(3-methyl-2-methylsulfanyl-1,8a-dihydrocyclohepta[d]imidazol-3-ium-6-yl)vinyl]-N-phenyl-acetamide CAS Name: N-[(E)-2-[3-methyl-2-(methylthio)-1,8a-dihydrocyclohepta[d]imidazol-3-ium-6-yl]ethenyl]-N-phenylacetamide IUPAC Name: N-[(E)-2-(3-methyl-2-methylsulfanyl-1,8a-dihydrocyclohepta[d]imidazol-3-ium-6-yl)ethenyl]-N-phenylacetamide Traditional Name: N-[(E)-2-[3-methyl-2-(methylthio)-1,8a-dihydrocyclohept[d]imidazol-3-ium-6-yl]vinyl]-N-phenyl-acetamide Formula: C20H22N3OS+ MolecularWeight: 352.47318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C=CC1=CC=C2C(C=C1)NC(=[N+]2C)SC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N(/C=C/C1=CC=C2C(C=C1)NC(=[N+]2C)SC)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS/c1-15(24)23(17-7-5-4-6-8-17)14-13-16-9-11-18-19(12-10-16)22(2)20(21-18)25-3/h4-14,18H,1-3H3/p+1/b14-13+