(1,3-diphenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (1,3-diphenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (1,3-diphenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: (1,3-diphenyl-4-pyrazolyl)-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1,3-diphenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1,3-diphenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2/c27-16-15-24-11-13-25(14-12-24)22(28)20-17-26(19-9-5-2-6-10-19)23-21(20)18-7-3-1-4-8-18/h1-10,17,27H,11-16H2/p+1