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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]acetamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H25N3O3S/c1-16-6-8-17(9-7-16)19(14-25-10-12-27-13-11-25)23-21(26)15-29-22-24-18-4-2-3-5-20(18)28-22/h2-9,19H,10-15H2,1H3,(H,23,26)/p+1/t19-/m0/s1