N-(3-methylsulfanylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide

Systemtic Name: N-(3-methylsulfanylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide Openeye Name: N-(3-methylsulfanylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide CAS Name: N-[3-(methylthio)phenyl]-4-(4-morpholin-4-iumylmethyl)benzamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide Traditional Name: N-[3-(methylthio)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Formula: C19H23N2O2S+ MolecularWeight: 343.46312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C19H22N2O2S/c1-24-18-4-2-3-17(13-18)20-19(22)16-7-5-15(6-8-16)14-21-9-11-23-12-10-21/h2-8,13H,9-12,14H2,1H3,(H,20,22)/p+1