2-(4-methylphenyl)-5-(morpholin-4-ylmethyl)-4-phenyl-1H-pyrazol-2-ium-3-amine

Systemtic Name: 2-(4-methylphenyl)-5-(morpholin-4-ylmethyl)-4-phenyl-1H-pyrazol-2-ium-3-amine Openeye Name: 5-(morpholinomethyl)-4-phenyl-2-(p-tolyl)-1H-pyrazol-2-ium-3-amine CAS Name: 2-(4-methylphenyl)-5-(4-morpholinylmethyl)-4-phenyl-1H-pyrazol-2-ium-3-amine IUPAC Name: 2-(4-methylphenyl)-5-(morpholin-4-ylmethyl)-4-phenyl-1H-pyrazol-2-ium-3-amine Traditional Name: [5-(morpholinomethyl)-4-phenyl-2-(p-tolyl)-1H-pyrazol-2-ium-3-yl]amine Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(C(=C(N2)CN3CCOCC3)C4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(C(=C(N2)CN3CCOCC3)C4=CC=CC=C4)N

InChI

InChI=1S/C21H24N4O/c1-16-7-9-18(10-8-16)25-21(22)20(17-5-3-2-4-6-17)19(23-25)15-24-11-13-26-14-12-24/h2-10H,11-15H2,1H3,(H2,22,23)/p+1