1,3-diethyl-N,2-dimethyl-N-phenyl-benzimidazol-1-ium-5-carboxamide iodide

Systemtic Name: 1,3-diethyl-N,2-dimethyl-N-phenyl-benzimidazol-1-ium-5-carboxamide iodide Openeye Name: 1,3-diethyl-N,2-dimethyl-N-phenyl-benzimidazol-1-ium-5-carboxamide iodide CAS Name: 1,3-diethyl-N,2-dimethyl-N-phenyl-5-benzimidazol-1-iumcarboxamide iodide IUPAC Name: 1,3-diethyl-N,2-dimethyl-N-phenylbenzimidazol-1-ium-5-carboxamide iodide Traditional Name: 1,3-diethyl-N,2-dimethyl-N-phenyl-benzimidazol-1-ium-5-carboxamide iodide Formula: C20H24IN3O MolecularWeight: 449.32853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C=C2)C(=O)N(C)C3=CC=CC=C3)CC)C.[I-]

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C=C2)C(=O)N(C)C3=CC=CC=C3)CC)C.[I-]

InChI

InChI=1S/C20H24N3O.HI/c1-5-22-15(3)23(6-2)19-14-16(12-13-18(19)22)20(24)21(4)17-10-8-7-9-11-17;/h7-14H,5-6H2,1-4H3;1H/q+1;/p-1