3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 3,5-dimethyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 3,5-dimethyl-1-(4-methylbenzyl)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]pyrazole-4-carboxamide Formula: C27H35N4O+ MolecularWeight: 431.593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCC3=CC=CC=C3C[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCC3=CC=CC=C3C[NH+]4CCCCC4)C

InChI

InChI=1S/C27H34N4O/c1-20-11-13-23(14-12-20)18-31-22(3)26(21(2)29-31)27(32)28-17-24-9-5-6-10-25(24)19-30-15-7-4-8-16-30/h5-6,9-14H,4,7-8,15-19H2,1-3H3,(H,28,32)/p+1