1-(5-bromanylpentyl)-3-(phenylmethyl)benzimidazol-3-ium-2-amine bromide

Systemtic Name: 1-(5-bromanylpentyl)-3-(phenylmethyl)benzimidazol-3-ium-2-amine bromide Openeye Name: 1-benzyl-3-(5-bromopentyl)benzimidazol-1-ium-2-amine bromide CAS Name: 1-(5-bromopentyl)-3-(phenylmethyl)-2-benzimidazol-3-iumamine bromide IUPAC Name: 1-benzyl-3-(5-bromopentyl)benzimidazol-1-ium-2-amine bromide Traditional Name: [1-benzyl-3-(5-bromopentyl)benzimidazol-1-ium-2-yl]amine bromide Formula: C19H23Br2N3 MolecularWeight: 453.21402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCBr)N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCBr)N.[Br-]

InChI

InChI=1S/C19H22BrN3.BrH/c20-13-7-2-8-14-22-17-11-5-6-12-18(17)23(19(22)21)15-16-9-3-1-4-10-16;/h1,3-6,9-12,21H,2,7-8,13-15H2;1H