1-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone

Systemtic Name: 1-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[(5S)-3,5-diphenyl-2-pyrazolin-1-yl]-2-morpholin-4-ium-4-yl-ethanone Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CC(=O)N2[C@@H](CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2/c25-21(16-23-11-13-26-14-12-23)24-20(18-9-5-2-6-10-18)15-19(22-24)17-7-3-1-4-8-17/h1-10,20H,11-16H2/p+1/t20-/m0/s1