N-[4-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]phenyl]ethanamide Openeye Name: N-[4-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methylsulfanyl]phenyl]acetamide CAS Name: N-[4-[[(2R)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methylthio]phenyl]acetamide IUPAC Name: N-[4-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]phenyl]acetamide Traditional Name: N-[4-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methylthio]phenyl]acetamide Formula: C17H27N2O2S+ MolecularWeight: 323.47348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC(C1)CSC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(C)C[NH+]1CCO[C@H](C1)CSC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C17H26N2O2S/c1-13(2)10-19-8-9-21-16(11-19)12-22-17-6-4-15(5-7-17)18-14(3)20/h4-7,13,16H,8-12H2,1-3H3,(H,18,20)/p+1/t16-/m1/s1