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

Systemtic Name: 2-morpholin-4-ium-4-yl-N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-morpholin-4-ium-4-yl-acetamide Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c24-18(14-23-10-12-26-13-11-23)22-21-19(16-8-4-5-9-17(16)27-21)20(25)15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2,(H,22,24)/p+1