1-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[2,5-dimethyl-1-[3-(methylthio)phenyl]-3-pyrrolyl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[2,5-dimethyl-1-[3-(methylthio)phenyl]pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone Formula: C19H25N2O2S+ MolecularWeight: 345.479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)SC)C)C(=O)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)SC)C)C(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C19H24N2O2S/c1-14-11-18(19(22)13-20-7-9-23-10-8-20)15(2)21(14)16-5-4-6-17(12-16)24-3/h4-6,11-12H,7-10,13H2,1-3H3/p+1