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

Systemtic Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 3,5-dimethyl-1-(p-tolylmethyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 3,5-dimethyl-1-(4-methylbenzyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]pyrazole-4-carboxamide Formula: C26H33N4O+ MolecularWeight: 417.56642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4)C

InChI

InChI=1S/C26H32N4O/c1-19-10-12-22(13-11-19)17-30-21(3)25(20(2)28-30)26(31)27-16-23-8-4-5-9-24(23)18-29-14-6-7-15-29/h4-5,8-13H,6-7,14-18H2,1-3H3,(H,27,31)/p+1