[3-(4-chlorophenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(4-chlorophenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(4-chlorophenyl)-1-(phenylmethyl)-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C23H26ClN4O+ MolecularWeight: 409.93174

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C23H25ClN4O/c1-2-26-12-14-27(15-13-26)23(29)21-17-28(16-18-6-4-3-5-7-18)25-22(21)19-8-10-20(24)11-9-19/h3-11,17H,2,12-16H2,1H3/p+1