4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]morpholin-4-ium Openeye Name: 4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]morpholin-4-ium CAS Name: 4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]morpholin-4-ium IUPAC Name: 4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]morpholin-4-ium Traditional Name: 4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]morpholin-4-ium Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCOCC3)C

InChI

InChI=1S/C16H21N3O/c1-12-3-4-14(9-13(12)2)16-15(10-17-18-16)11-19-5-7-20-8-6-19/h3-4,9-10H,5-8,11H2,1-2H3,(H,17,18)/p+1