2-[4-[[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[[5-chloro-3-methyl-1-(p-tolylmethyl)pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]methyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[[5-chloro-3-methyl-1-(4-methylbenzyl)pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C22H31ClN5O+ MolecularWeight: 416.96744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)CN3CC[NH+](CC3)CC(=O)NC4CC4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)CN3CC[NH+](CC3)CC(=O)NC4CC4)Cl

InChI

InChI=1S/C22H30ClN5O/c1-16-3-5-18(6-4-16)13-28-22(23)20(17(2)25-28)14-26-9-11-27(12-10-26)15-21(29)24-19-7-8-19/h3-6,19H,7-15H2,1-2H3,(H,24,29)/p+1