2-[2-[[(2R)-3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]benzimidazol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-[[(2R)-3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]benzimidazol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-[[(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]benzimidazol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-[[(2R)-3-(4-bromo-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-1-benzimidazolyl]ethyl-diethylammonium IUPAC Name: 2-[2-[[(2R)-3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]benzimidazol-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-[[(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]benzimidazol-1-yl]ethyl-diethyl-ammonium Formula: C20H28BrN6O+ MolecularWeight: 448.37992

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C(C)CN3C=C(C=N3)Br

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)[C@H](C)CN3C=C(C=N3)Br

InChI

InChI=1S/C20H27BrN6O/c1-4-25(5-2)10-11-27-18-9-7-6-8-17(18)23-20(27)24-19(28)15(3)13-26-14-16(21)12-22-26/h6-9,12,14-15H,4-5,10-11,13H2,1-3H3,(H,23,24,28)/p+1/t15-/m1/s1