1-[(4-aminophenyl)methyl]-N-[1-(2-azanylethyl)piperidin-4-yl]benzimidazol-2-amine trihydrobromide

Systemtic Name: 1-[(4-aminophenyl)methyl]-N-[1-(2-azanylethyl)piperidin-4-yl]benzimidazol-2-amine trihydrobromide Openeye Name: N-[1-(2-aminoethyl)-4-piperidyl]-1-[(4-aminophenyl)methyl]benzimidazol-2-amine trihydrobromide CAS Name: N-[1-(2-aminoethyl)-4-piperidinyl]-1-[(4-aminophenyl)methyl]-2-benzimidazolamine trihydrobromide IUPAC Name: N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(4-aminophenyl)methyl]benzimidazol-2-amine trihydrobromide Traditional Name: [1-(4-aminobenzyl)benzimidazol-2-yl]-[1-(2-aminoethyl)-4-piperidyl]amine trihydrobromide Formula: C21H31Br3N6 MolecularWeight: 607.22304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)N)CCN.Br.Br.Br

Isomeric SMILES

C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)N)CCN.Br.Br.Br

InChI

InChI=1S/C21H28N6.3BrH/c22-11-14-26-12-9-18(10-13-26)24-21-25-19-3-1-2-4-20(19)27(21)15-16-5-7-17(23)8-6-16;;;/h1-8,18H,9-15,22-23H2,(H,24,25);3*1H