(2S,6S)-4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-2,6-dimethyl-morpholin-4-ium

Systemtic Name: (2S,6S)-4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-2,6-dimethyl-morpholin-4-ium Openeye Name: (2S,6S)-4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-2,6-dimethyl-morpholin-4-ium CAS Name: (2S,6S)-4-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-2,6-dimethylmorpholin-4-ium IUPAC Name: (2S,6S)-4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,6-dimethylmorpholin-4-ium Traditional Name: (2S,6S)-4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-2,6-dimethyl-morpholin-4-ium Formula: C17H23ClN3O+ MolecularWeight: 320.83702

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CC2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C17H22ClN3O/c1-12-9-20(10-13(2)22-12)11-16-14(3)19-21(17(16)18)15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3/p+1/t12-,13-/m0/s1