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

Systemtic Name: N-[3-(4-bromophenyl)carbonyl-5-ethyl-thiophen-2-yl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[3-(4-bromobenzoyl)-5-ethyl-2-thienyl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[3-[(4-bromophenyl)-oxomethyl]-5-ethyl-2-thiophenyl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[3-(4-bromobenzoyl)-5-ethylthiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[3-(4-bromobenzoyl)-5-ethyl-2-thienyl]-2-morpholin-4-ium-4-yl-acetamide Formula: C19H22BrN2O3S+ MolecularWeight: 438.35858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O3S/c1-2-15-11-16(18(24)13-3-5-14(20)6-4-13)19(26-15)21-17(23)12-22-7-9-25-10-8-22/h3-6,11H,2,7-10,12H2,1H3,(H,21,23)/p+1