2-[4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C21H27ClN5O2+ MolecularWeight: 416.92438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H26ClN5O2/c22-17-6-4-16(5-7-17)20-18(14-23-24-20)21(29)27-12-10-25(11-13-27)15-19(28)26-8-2-1-3-9-26/h4-7,14H,1-3,8-13,15H2,(H,23,24)/p+1