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

Systemtic Name: 3,5-dimethyl-1-(phenylmethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 1-benzyl-3,5-dimethyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-1-(phenylmethyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3,5-dimethyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-3,5-dimethyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]pyrazole-4-carboxamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C25H30N4O/c1-19-24(20(2)29(27-19)18-22-8-4-3-5-9-22)25(30)26-16-21-10-12-23(13-11-21)17-28-14-6-7-15-28/h3-5,8-13H,6-7,14-18H2,1-2H3,(H,26,30)/p+1