2-(4-chlorophenyl)-1-prop-2-ynyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium

Systemtic Name: 2-(4-chlorophenyl)-1-prop-2-ynyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium Openeye Name: 2-(4-chlorophenyl)-1-prop-2-ynyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium CAS Name: 2-(4-chlorophenyl)-1-prop-2-ynyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium IUPAC Name: 2-(4-chlorophenyl)-1-prop-2-ynyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium Traditional Name: 2-(4-chlorophenyl)-1-propargyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium Formula: C21H21ClN5+ MolecularWeight: 378.87794

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]1(CCN(CC1C2=CC=C(C=C2)Cl)C3=CC=NN3)C4=CC=NC=C4

Isomeric SMILES

C#CC[N+]1(CCN(CC1C2=CC=C(C=C2)Cl)C3=CC=NN3)C4=CC=NC=C4

InChI

InChI=1S/C21H21ClN5/c1-2-14-27(19-7-10-23-11-8-19)15-13-26(21-9-12-24-25-21)16-20(27)17-3-5-18(22)6-4-17/h1,3-12,20H,13-16H2,(H,24,25)/q+1