3-[[1-(2-azanylethyl)-2-(2-piperidin-4-ylethyl)benzimidazol-5-yl]carbonylamino]propanoic acid trihydrobromide

Systemtic Name: 3-[[1-(2-azanylethyl)-2-(2-piperidin-4-ylethyl)benzimidazol-5-yl]carbonylamino]propanoic acid trihydrobromide Openeye Name: 3-[[1-(2-aminoethyl)-2-[2-(4-piperidyl)ethyl]benzimidazole-5-carbonyl]amino]propanoic acid trihydrobromide CAS Name: 3-[[[1-(2-aminoethyl)-2-[2-(4-piperidinyl)ethyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid trihydrobromide IUPAC Name: 3-[[1-(2-aminoethyl)-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoic acid trihydrobromide Traditional Name: 3-[[1-(2-aminoethyl)-2-[2-(4-piperidyl)ethyl]benzimidazole-5-carbonyl]amino]propionic acid trihydrobromide Formula: C20H32Br3N5O3 MolecularWeight: 630.21178

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCC2=NC3=C(N2CCN)C=CC(=C3)C(=O)NCCC(=O)O.Br.Br.Br

Isomeric SMILES

C1CNCCC1CCC2=NC3=C(N2CCN)C=CC(=C3)C(=O)NCCC(=O)O.Br.Br.Br

InChI

InChI=1S/C20H29N5O3.3BrH/c21-8-12-25-17-3-2-15(20(28)23-11-7-19(26)27)13-16(17)24-18(25)4-1-14-5-9-22-10-6-14;;;/h2-3,13-14,22H,1,4-12,21H2,(H,23,28)(H,26,27);3*1H