2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-[4-(1-pyrazolylmethyl)phenyl]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C29H31N4O+ MolecularWeight: 451.58264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=CC=C3C4=CC=C(C=C4)CN5C=CC=N5

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=CC=C3C4=CC=C(C=C4)CN5C=CC=N5

InChI

InChI=1S/C29H30N4O/c34-29(30-20-23-8-10-24(11-9-23)21-32-17-3-4-18-32)28-7-2-1-6-27(28)26-14-12-25(13-15-26)22-33-19-5-16-31-33/h1-2,5-16,19H,3-4,17-18,20-22H2,(H,30,34)/p+1