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

Systemtic Name: 5-methyl-1,3-diphenyl-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]pyrazole-4-carboxamide Openeye Name: 5-methyl-1,3-diphenyl-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]pyrazole-4-carboxamide CAS Name: 5-methyl-1,3-diphenyl-N-[4-(1-piperidin-1-iumylmethyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: 5-methyl-1,3-diphenyl-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]pyrazole-4-carboxamide Traditional Name: 5-methyl-1,3-diphenyl-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]pyrazole-4-carboxamide Formula: C29H31N4O+ MolecularWeight: 451.58264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C[NH+]5CCCCC5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C[NH+]5CCCCC5

InChI

InChI=1S/C29H30N4O/c1-22-27(28(24-11-5-2-6-12-24)31-33(22)26-13-7-3-8-14-26)29(34)30-25-17-15-23(16-18-25)21-32-19-9-4-10-20-32/h2-3,5-8,11-18H,4,9-10,19-21H2,1H3,(H,30,34)/p+1