[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C22H25ClN5O+ MolecularWeight: 410.9198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H24ClN5O/c1-17-20(21(23)28(25-17)16-18-5-3-2-4-6-18)22(29)27-13-11-26(12-14-27)15-19-7-9-24-10-8-19/h2-10H,11-16H2,1H3/p+1