[1-[(2-chlorophenyl)methyl]-2-propyl-benzimidazol-1-ium-1-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [1-[(2-chlorophenyl)methyl]-2-propyl-benzimidazol-1-ium-1-yl]-thiomorpholin-4-yl-methanone Openeye Name: [1-[(2-chlorophenyl)methyl]-2-propyl-benzimidazol-1-ium-1-yl]-thiomorpholino-methanone CAS Name: [1-[(2-chlorophenyl)methyl]-2-propyl-1-benzimidazol-1-iumyl]-thiomorpholin-4-ylmethanone IUPAC Name: [1-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-1-ium-1-yl]-thiomorpholin-4-ylmethanone Traditional Name: [1-(2-chlorobenzyl)-2-propyl-benzimidazol-1-ium-1-yl]-thiomorpholino-methanone Formula: C22H25ClN3OS+ MolecularWeight: 414.9714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=CC=C3Cl)C(=O)N4CCSCC4

Isomeric SMILES

CCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=CC=C3Cl)C(=O)N4CCSCC4

InChI

InChI=1S/C22H25ClN3OS/c1-2-7-21-24-19-10-5-6-11-20(19)26(21,16-17-8-3-4-9-18(17)23)22(27)25-12-14-28-15-13-25/h3-6,8-11H,2,7,12-16H2,1H3/q+1