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

Systemtic Name: 4-pyrazol-1-yl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-pyrazol-1-yl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(1-pyrazolyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-pyrazol-1-yl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-pyrazol-1-yl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H24N4O/c27-22(20-8-10-21(11-9-20)26-15-3-12-24-26)23-16-18-4-6-19(7-5-18)17-25-13-1-2-14-25/h3-12,15H,1-2,13-14,16-17H2,(H,23,27)/p+1