N-[5-ethyl-3-(3-methylphenyl)carbonyl-thiophen-2-yl]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[5-ethyl-3-(3-methylphenyl)carbonyl-thiophen-2-yl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[5-ethyl-3-(3-methylbenzoyl)-2-thienyl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[5-ethyl-3-[(3-methylphenyl)-oxomethyl]-2-thiophenyl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[5-ethyl-3-(3-methylbenzoyl)thiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-(5-ethyl-3-m-toluoyl-2-thienyl)-2-morpholin-4-ium-4-yl-acetamide Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCOCC2)C(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCOCC2)C(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C20H24N2O3S/c1-3-16-12-17(19(24)15-6-4-5-14(2)11-15)20(26-16)21-18(23)13-22-7-9-25-10-8-22/h4-6,11-12H,3,7-10,13H2,1-2H3,(H,21,23)/p+1