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

Systemtic Name: N-[1-(2-azanylethyl)piperidin-4-yl]-1-[(4-nitrophenyl)methyl]benzimidazol-2-amine trihydrobromide Openeye Name: N-[1-(2-aminoethyl)-4-piperidyl]-1-[(4-nitrophenyl)methyl]benzimidazol-2-amine trihydrobromide CAS Name: N-[1-(2-aminoethyl)-4-piperidinyl]-1-[(4-nitrophenyl)methyl]-2-benzimidazolamine trihydrobromide IUPAC Name: N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(4-nitrophenyl)methyl]benzimidazol-2-amine trihydrobromide Traditional Name: [1-(2-aminoethyl)-4-piperidyl]-[1-(4-nitrobenzyl)benzimidazol-2-yl]amine trihydrobromide Formula: C21H29Br3N6O2 MolecularWeight: 637.20596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)[N+](=O)[O-])CCN.Br.Br.Br

Isomeric SMILES

C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)[N+](=O)[O-])CCN.Br.Br.Br

InChI

InChI=1S/C21H26N6O2.3BrH/c22-11-14-25-12-9-17(10-13-25)23-21-24-19-3-1-2-4-20(19)26(21)15-16-5-7-18(8-6-16)27(28)29;;;/h1-8,17H,9-15,22H2,(H,23,24);3*1H