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

Systemtic Name: 5-chloranyl-3-methyl-1-phenyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-1-phenyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-phenyl-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-1-phenyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-3-methyl-1-phenyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide Formula: C23H32ClN4O+ MolecularWeight: 415.97938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31ClN4O/c1-18-20(21(24)28(26-18)19-11-5-2-6-12-19)22(29)25-17-23(13-7-3-8-14-23)27-15-9-4-10-16-27/h2,5-6,11-12H,3-4,7-10,13-17H2,1H3,(H,25,29)/p+1