2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]-N-(4-propanoylphenyl)ethanamide iodide

Systemtic Name: 2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]-N-(4-propanoylphenyl)ethanamide iodide Openeye Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(4-propanoylphenyl)acetamide iodide CAS Name: N-[4-(1-oxopropyl)phenyl]-2-[3-(phenylmethyl)-1-benzimidazol-3-iumyl]acetamide iodide IUPAC Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(4-propanoylphenyl)acetamide iodide Traditional Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(4-propionylphenyl)acetamide iodide Formula: C25H24IN3O2 MolecularWeight: 525.38143

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)NC(=O)CN2C=[N+](C3=CC=CC=C32)CC4=CC=CC=C4.[I-]

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)NC(=O)CN2C=[N+](C3=CC=CC=C32)CC4=CC=CC=C4.[I-]

InChI

InChI=1S/C25H23N3O2.HI/c1-2-24(29)20-12-14-21(15-13-20)26-25(30)17-28-18-27(16-19-8-4-3-5-9-19)22-10-6-7-11-23(22)28;/h3-15,18H,2,16-17H2,1H3;1H