5-ethyl-1-(4-methylphenyl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]pyrazole-4-carboxamide

Systemtic Name: 5-ethyl-1-(4-methylphenyl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]pyrazole-4-carboxamide Openeye Name: 5-ethyl-1-(p-tolyl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]pyrazole-4-carboxamide CAS Name: 5-ethyl-1-(4-methylphenyl)-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 5-ethyl-1-(4-methylphenyl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]pyrazole-4-carboxamide Traditional Name: 5-ethyl-1-(p-tolyl)-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]pyrazole-4-carboxamide Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)NCC3=C[NH+]=C(C=C3)N4CCCC4

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)NCC3=C[NH+]=C(C=C3)N4CCCC4

InChI

InChI=1S/C23H27N5O/c1-3-21-20(16-26-28(21)19-9-6-17(2)7-10-19)23(29)25-15-18-8-11-22(24-14-18)27-12-4-5-13-27/h6-11,14,16H,3-5,12-13,15H2,1-2H3,(H,25,29)/p+1