2-(3-chloranyl-4-methyl-phenyl)-5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-pyrazol-3-amine

Systemtic Name: 2-(3-chloranyl-4-methyl-phenyl)-5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-pyrazol-3-amine Openeye Name: 2-(3-chloro-4-methyl-phenyl)-5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-pyrazol-3-amine CAS Name: 2-(3-chloro-4-methylphenyl)-5-(4-morpholin-4-iumylmethyl)-4-phenyl-3-pyrazolamine IUPAC Name: 2-(3-chloro-4-methylphenyl)-5-(morpholin-4-ium-4-ylmethyl)-4-phenylpyrazol-3-amine Traditional Name: [2-(3-chloro-4-methyl-phenyl)-5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-pyrazol-3-yl]amine Formula: C21H24ClN4O+ MolecularWeight: 383.89446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O/c1-15-7-8-17(13-18(15)22)26-21(23)20(16-5-3-2-4-6-16)19(24-26)14-25-9-11-27-12-10-25/h2-8,13H,9-12,14,23H2,1H3/p+1