1-[(3S)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[(5S)-5-(1H-benzimidazol-2-yl)-3-(4-bromophenyl)-2-pyrazolin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C23H25BrN5O+ MolecularWeight: 467.3815

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2[C@@H](CC(=N2)C3=CC=C(C=C3)Br)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H24BrN5O/c24-17-10-8-16(9-11-17)20-14-21(23-25-18-6-2-3-7-19(18)26-23)29(27-20)22(30)15-28-12-4-1-5-13-28/h2-3,6-11,21H,1,4-5,12-15H2,(H,25,26)/p+1/t21-/m0/s1