(4S)-2-(3,4-dichlorophenyl)-4-(morpholin-4-ium-4-ylmethyl)-5-phenyl-4H-pyrazol-3-one

Systemtic Name: (4S)-2-(3,4-dichlorophenyl)-4-(morpholin-4-ium-4-ylmethyl)-5-phenyl-4H-pyrazol-3-one Openeye Name: (4S)-2-(3,4-dichlorophenyl)-4-(morpholin-4-ium-4-ylmethyl)-5-phenyl-4H-pyrazol-3-one CAS Name: (4S)-2-(3,4-dichlorophenyl)-4-(4-morpholin-4-iumylmethyl)-5-phenyl-4H-pyrazol-3-one IUPAC Name: (4S)-2-(3,4-dichlorophenyl)-4-(morpholin-4-ium-4-ylmethyl)-5-phenyl-4H-pyrazol-3-one Traditional Name: (4S)-2-(3,4-dichlorophenyl)-4-(morpholin-4-ium-4-ylmethyl)-5-phenyl-2-pyrazolin-3-one Formula: C20H20Cl2N3O2+ MolecularWeight: 405.2977

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2C(=NN(C2=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1C[C@H]2C(=NN(C2=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H19Cl2N3O2/c21-17-7-6-15(12-18(17)22)25-20(26)16(13-24-8-10-27-11-9-24)19(23-25)14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2/p+1/t16-/m0/s1