2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]acetamide Formula: C21H24N3O3S+ MolecularWeight: 398.49856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)CSC3=NC4=CC=CC=C4O3

InChI

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