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

Systemtic Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[(5S)-5-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=NC4=CC=CC=C4N3)C(=O)C[NH+]5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=NC4=CC=CC=C4N3)C(=O)C[NH+]5CCCCC5

InChI

InChI=1S/C24H27N5O2/c1-31-18-11-9-17(10-12-18)21-15-22(24-25-19-7-3-4-8-20(19)26-24)29(27-21)23(30)16-28-13-5-2-6-14-28/h3-4,7-12,22H,2,5-6,13-16H2,1H3,(H,25,26)/p+1/t22-/m0/s1