2-[4-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[1-(2-chlorobenzyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C22H29ClN5O2+ MolecularWeight: 430.95096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C22H28ClN5O2/c23-20-7-3-2-6-18(20)15-28-16-19(14-24-28)22(30)27-12-10-25(11-13-27)17-21(29)26-8-4-1-5-9-26/h2-3,6-7,14,16H,1,4-5,8-13,15,17H2/p+1