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

Systemtic Name: 5-(morpholin-4-ium-4-ylmethyl)-2-(3-nitrophenyl)-4-phenyl-pyrazol-3-amine Openeye Name: 5-(morpholin-4-ium-4-ylmethyl)-2-(3-nitrophenyl)-4-phenyl-pyrazol-3-amine CAS Name: 5-(4-morpholin-4-iumylmethyl)-2-(3-nitrophenyl)-4-phenyl-3-pyrazolamine IUPAC Name: 5-(morpholin-4-ium-4-ylmethyl)-2-(3-nitrophenyl)-4-phenylpyrazol-3-amine Traditional Name: [5-(morpholin-4-ium-4-ylmethyl)-2-(3-nitrophenyl)-4-phenyl-pyrazol-3-yl]amine Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c21-20-19(15-5-2-1-3-6-15)18(14-23-9-11-28-12-10-23)22-24(20)16-7-4-8-17(13-16)25(26)27/h1-8,13H,9-12,14,21H2/p+1