3-chloranyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2R)-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2R)-2-(4-morpholin-4-iumyl)-2-phenylethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2R)-2-morpholin-4-ium-4-yl-2-phenylethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2R)-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]benzothiophene-2-carboxamide Formula: C21H22ClN2O2S+ MolecularWeight: 401.92958

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN2O2S/c22-19-16-8-4-5-9-18(16)27-20(19)21(25)23-14-17(15-6-2-1-3-7-15)24-10-12-26-13-11-24/h1-9,17H,10-14H2,(H,23,25)/p+1/t17-/m0/s1