(2R)-2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-methylpropyl)morpholin-4-ium

Systemtic Name: (2R)-2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-methylpropyl)morpholin-4-ium Openeye Name: (2R)-2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-isobutyl-morpholin-4-ium CAS Name: (2R)-2-[(1H-benzimidazol-2-ylthio)methyl]-4-(2-methylpropyl)morpholin-4-ium IUPAC Name: (2R)-2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-methylpropyl)morpholin-4-ium Traditional Name: (2R)-2-[(1H-benzimidazol-2-ylthio)methyl]-4-isobutyl-morpholin-4-ium Formula: C16H24N3OS+ MolecularWeight: 306.44626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC(C1)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)C[NH+]1CCO[C@H](C1)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C16H23N3OS/c1-12(2)9-19-7-8-20-13(10-19)11-21-16-17-14-5-3-4-6-15(14)18-16/h3-6,12-13H,7-11H2,1-2H3,(H,17,18)/p+1/t13-/m1/s1