2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(1R)-2-(4-morpholin-4-iumyl)-1-phenylethyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]acetamide Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1COCC[NH+]1C[C@@H](C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H23N3O3S/c25-20(15-28-21-23-17-8-4-5-9-19(17)27-21)22-18(16-6-2-1-3-7-16)14-24-10-12-26-13-11-24/h1-9,18H,10-15H2,(H,22,25)/p+1/t18-/m0/s1