2-(2,4-dimethylphenyl)-5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-pyrazol-3-amine

Systemtic Name: 2-(2,4-dimethylphenyl)-5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-pyrazol-3-amine Openeye Name: 2-(2,4-dimethylphenyl)-5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-pyrazol-3-amine CAS Name: 2-(2,4-dimethylphenyl)-5-(4-morpholin-4-iumylmethyl)-4-phenyl-3-pyrazolamine IUPAC Name: 2-(2,4-dimethylphenyl)-5-(morpholin-4-ium-4-ylmethyl)-4-phenylpyrazol-3-amine Traditional Name: [2-(2,4-dimethylphenyl)-5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-pyrazol-3-yl]amine Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C(C(=N2)C[NH+]3CCOCC3)C4=CC=CC=C4)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C(C(=N2)C[NH+]3CCOCC3)C4=CC=CC=C4)N)C

InChI

InChI=1S/C22H26N4O/c1-16-8-9-20(17(2)14-16)26-22(23)21(18-6-4-3-5-7-18)19(24-26)15-25-10-12-27-13-11-25/h3-9,14H,10-13,15,23H2,1-2H3/p+1