(E)-3-[1-methyl-2-(4-piperidin-4-ylphenyl)benzimidazol-5-yl]prop-2-enoic acid dihydrobromide

Systemtic Name: (E)-3-[1-methyl-2-(4-piperidin-4-ylphenyl)benzimidazol-5-yl]prop-2-enoic acid dihydrobromide Openeye Name: (E)-3-[1-methyl-2-[4-(4-piperidyl)phenyl]benzimidazol-5-yl]prop-2-enoic acid dihydrobromide CAS Name: (E)-3-[1-methyl-2-[4-(4-piperidinyl)phenyl]-5-benzimidazolyl]-2-propenoic acid dihydrobromide IUPAC Name: (E)-3-[1-methyl-2-(4-piperidin-4-ylphenyl)benzimidazol-5-yl]prop-2-enoic acid dihydrobromide Traditional Name: (E)-3-[1-methyl-2-[4-(4-piperidyl)phenyl]benzimidazol-5-yl]acrylic acid dihydrobromide Formula: C22H25Br2N3O2 MolecularWeight: 523.2608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C=CC(=O)O)N=C1C3=CC=C(C=C3)C4CCNCC4.Br.Br

Isomeric SMILES

CN1C2=C(C=C(C=C2)/C=C/C(=O)O)N=C1C3=CC=C(C=C3)C4CCNCC4.Br.Br

InChI

InChI=1S/C22H23N3O2.2BrH/c1-25-20-8-2-15(3-9-21(26)27)14-19(20)24-22(25)18-6-4-16(5-7-18)17-10-12-23-13-11-17;;/h2-9,14,17,23H,10-13H2,1H3,(H,26,27);2*1H/b9-3+;;