[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(2-chlorobenzyl)pyrazol-4-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C23H26ClN4O+ MolecularWeight: 409.93174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C23H25ClN4O/c24-22-9-5-4-8-20(22)17-28-18-21(16-25-28)23(29)27-14-12-26(13-15-27)11-10-19-6-2-1-3-7-19/h1-9,16,18H,10-15,17H2/p+1