1-(phenylmethyl)-3-(3-phenylpropyl)benzimidazol-1-ium-2-amine bromide

Systemtic Name: 1-(phenylmethyl)-3-(3-phenylpropyl)benzimidazol-1-ium-2-amine bromide Openeye Name: 1-benzyl-3-(3-phenylpropyl)benzimidazol-1-ium-2-amine bromide CAS Name: 1-(phenylmethyl)-3-(3-phenylpropyl)-2-benzimidazol-1-iumamine bromide IUPAC Name: 1-benzyl-3-(3-phenylpropyl)benzimidazol-1-ium-2-amine bromide Traditional Name: [1-benzyl-3-(3-phenylpropyl)benzimidazol-1-ium-2-yl]amine bromide Formula: C23H24BrN3 MolecularWeight: 422.36076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C23H23N3.BrH/c24-23-25(17-9-14-19-10-3-1-4-11-19)21-15-7-8-16-22(21)26(23)18-20-12-5-2-6-13-20;/h1-8,10-13,15-16,24H,9,14,17-18H2;1H