3-(1-phenylpyrazol-4-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(1-phenylpyrazol-4-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(1-phenylpyrazol-4-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(1-phenyl-4-pyrazolyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(1-phenylpyrazol-4-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(1-phenylpyrazol-4-yl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O/c29-24(13-12-20-16-26-28(18-20)23-10-2-1-3-11-23)25-17-21-8-4-5-9-22(21)19-27-14-6-7-15-27/h1-5,8-11,16,18H,6-7,12-15,17,19H2,(H,25,29)/p+1