2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]ethanamide Openeye Name: 2-(1-isopentylbenzimidazol-2-yl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide CAS Name: 2-[[1-(3-methylbutyl)-2-benzimidazolyl]thio]-N-[4-(4-morpholin-4-iumylmethyl)phenyl]acetamide IUPAC Name: 2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide Traditional Name: 2-[(1-isoamylbenzimidazol-2-yl)thio]-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide Formula: C25H33N4O2S+ MolecularWeight: 453.62012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C25H32N4O2S/c1-19(2)11-12-29-23-6-4-3-5-22(23)27-25(29)32-18-24(30)26-21-9-7-20(8-10-21)17-28-13-15-31-16-14-28/h3-10,19H,11-18H2,1-2H3,(H,26,30)/p+1