N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-2-morpholin-4-ium-4-yl-acetamide Formula: C20H25N2O2S+ MolecularWeight: 357.4897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C20H24N2O2S/c1-15-3-4-16(2)19(13-15)25-18-7-5-17(6-8-18)21-20(23)14-22-9-11-24-12-10-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)/p+1