(4-chloranyl-2-methyl-pyrazol-3-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-chloranyl-2-methyl-pyrazol-3-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-chloro-2-methyl-pyrazol-3-yl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-chloro-2-methyl-3-pyrazolyl)-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-chloro-2-methylpyrazol-3-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-chloro-2-methyl-pyrazol-3-yl)-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C17H22ClN4O+ MolecularWeight: 333.83578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=C(C=NN3C)Cl

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=C(C=NN3C)Cl

InChI

InChI=1S/C17H21ClN4O/c1-13-5-3-4-6-14(13)12-21-7-9-22(10-8-21)17(23)16-15(18)11-19-20(16)2/h3-6,11H,7-10,12H2,1-2H3/p+1