phenyl-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: phenyl-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: phenyl-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: phenyl-[4-[[4-(1-pyrazolyl)phenyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: phenyl-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: phenyl-[4-(4-pyrazol-1-ylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H23N4O+ MolecularWeight: 347.43352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)N3C=CC=N3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)N3C=CC=N3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O/c26-21(19-5-2-1-3-6-19)24-15-13-23(14-16-24)17-18-7-9-20(10-8-18)25-12-4-11-22-25/h1-12H,13-17H2/p+1