5-chloranyl-3-methyl-1-(phenylmethyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-1-(phenylmethyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-3-methyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-3-methyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-3-methyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide Formula: C24H34ClN4O+ MolecularWeight: 430.00596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2(CCCCC2)[NH+]3CCCCC3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2(CCCCC2)[NH+]3CCCCC3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C24H33ClN4O/c1-19-21(22(25)29(27-19)17-20-11-5-2-6-12-20)23(30)26-18-24(13-7-3-8-14-24)28-15-9-4-10-16-28/h2,5-6,11-12H,3-4,7-10,13-18H2,1H3,(H,26,30)/p+1