5-chloranyl-3-methyl-1-(2-methylpropyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-1-(2-methylpropyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-1-isobutyl-3-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-1-(2-methylpropyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-1-isobutyl-3-methyl-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]pyrazole-4-carboxamide Formula: C22H32ClN4O+ MolecularWeight: 403.96868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3)Cl)CC(C)C

InChI

InChI=1S/C22H31ClN4O/c1-16(2)14-27-21(23)20(17(3)25-27)22(28)24-13-18-9-5-6-10-19(18)15-26-11-7-4-8-12-26/h5-6,9-10,16H,4,7-8,11-15H2,1-3H3,(H,24,28)/p+1