1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Openeye Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-(1-phenyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Traditional Name: 1-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Formula: C23H26ClN4O+ MolecularWeight: 409.93174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C(=O)CCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C(=O)CCC3=CN(N=C3)C4=CC=CC=C4

InChI

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