[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methanone

Systemtic Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: (1-benzyl-3-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c28-16-15-25-11-13-26(14-12-25)23(29)21-18-27(17-19-7-3-1-4-8-19)24-22(21)20-9-5-2-6-10-20/h1-10,18,28H,11-17H2/p+1