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

Systemtic Name: 5-chloranyl-3-methyl-1-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-1-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-phenyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-1-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-3-methyl-1-phenyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]pyrazole-4-carboxamide Formula: C23H26ClN4O+ MolecularWeight: 409.93174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H25ClN4O/c1-17-21(22(24)28(26-17)20-11-3-2-4-12-20)23(29)25-15-18-9-5-6-10-19(18)16-27-13-7-8-14-27/h2-6,9-12H,7-8,13-16H2,1H3,(H,25,29)/p+1