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

Systemtic Name: 3,5-dimethyl-1-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 3,5-dimethyl-1-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-1-phenyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 3,5-dimethyl-1-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 3,5-dimethyl-1-phenyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]pyrazole-4-carboxamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C24H28N4O/c1-18-23(19(2)28(26-18)22-12-4-3-5-13-22)24(29)25-16-20-10-6-7-11-21(20)17-27-14-8-9-15-27/h3-7,10-13H,8-9,14-17H2,1-2H3,(H,25,29)/p+1