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

Systemtic Name: 1-[(3R)-3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[(3R)-3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[(3R)-3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[(3R)-3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[(5R)-5-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-morpholin-4-ium-4-yl-ethanone Formula: C23H26N5O3+ MolecularWeight: 420.48424

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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+]5CCOCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([C@H](C2)C3=NC4=CC=CC=C4N3)C(=O)C[NH+]5CCOCC5

InChI

InChI=1S/C23H25N5O3/c1-30-17-8-6-16(7-9-17)20-14-21(23-24-18-4-2-3-5-19(18)25-23)28(26-20)22(29)15-27-10-12-31-13-11-27/h2-9,21H,10-15H2,1H3,(H,24,25)/p+1/t21-/m1/s1