N-[3-(2-methoxyphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[3-(2-methoxyphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[3-(2-methoxybenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[3-[(2-methoxyphenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[3-(2-methoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: 2-morpholin-4-ium-4-yl-N-(3-o-anisoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C22H27N2O4S+ MolecularWeight: 415.52578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)C2=C(SC3=C2CCCC3)NC(=O)C[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC=C1C(=O)C2=C(SC3=C2CCCC3)NC(=O)C[NH+]4CCOCC4

InChI

InChI=1S/C22H26N2O4S/c1-27-17-8-4-2-6-15(17)21(26)20-16-7-3-5-9-18(16)29-22(20)23-19(25)14-24-10-12-28-13-11-24/h2,4,6,8H,3,5,7,9-14H2,1H3,(H,23,25)/p+1