1-(8-bromanyloctyl)-3-(phenylmethyl)benzimidazol-3-ium-2-amine

Systemtic Name: 1-(8-bromanyloctyl)-3-(phenylmethyl)benzimidazol-3-ium-2-amine Openeye Name: 1-benzyl-3-(8-bromooctyl)benzimidazol-1-ium-2-amine CAS Name: 1-(8-bromooctyl)-3-(phenylmethyl)-2-benzimidazol-3-iumamine IUPAC Name: 1-benzyl-3-(8-bromooctyl)benzimidazol-1-ium-2-amine Traditional Name: [1-benzyl-3-(8-bromooctyl)benzimidazol-1-ium-2-yl]amine Formula: C22H29BrN3+ MolecularWeight: 415.38976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCCCCBr)N

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCCCCBr)N

InChI

InChI=1S/C22H28BrN3/c23-16-10-3-1-2-4-11-17-25-20-14-8-9-15-21(20)26(22(25)24)18-19-12-6-5-7-13-19/h5-9,12-15,24H,1-4,10-11,16-18H2/p+1