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

Systemtic Name: N-[3-(4-chlorophenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[3-(4-chlorobenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[3-[(4-chlorophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[3-(4-chlorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[3-(4-chlorobenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-morpholin-4-ium-4-yl-acetamide Formula: C21H24ClN2O3S+ MolecularWeight: 419.94486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C[NH+]3CCOCC3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C[NH+]3CCOCC3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H23ClN2O3S/c22-15-7-5-14(6-8-15)20(26)19-16-3-1-2-4-17(16)28-21(19)23-18(25)13-24-9-11-27-12-10-24/h5-8H,1-4,9-13H2,(H,23,25)/p+1