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

Systemtic Name: 1-[(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[(5S)-3-(4-chlorophenyl)-5-phenyl-2-pyrazolin-1-yl]-2-morpholin-4-ium-4-yl-ethanone Formula: C21H23ClN3O2+ MolecularWeight: 384.87922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2/c22-18-8-6-16(7-9-18)19-14-20(17-4-2-1-3-5-17)25(23-19)21(26)15-24-10-12-27-13-11-24/h1-9,20H,10-15H2/p+1/t20-/m0/s1