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

Systemtic Name: 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-1-(p-tolylmethyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-3-methyl-1-(4-methylbenzyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]pyrazole-4-carboxamide Formula: C25H30ClN4O+ MolecularWeight: 437.9849

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN4O/c1-18-9-11-20(12-10-18)16-30-24(26)23(19(2)28-30)25(31)27-15-21-7-3-4-8-22(21)17-29-13-5-6-14-29/h3-4,7-12H,5-6,13-17H2,1-2H3,(H,27,31)/p+1