1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea

Systemtic Name: 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea Openeye Name: 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea CAS Name: 1-[[2-(1-pyrazolylmethyl)phenyl]methyl]-3-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea Traditional Name: 1-[2-(pyrazol-1-ylmethyl)benzyl]-3-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]urea Formula: C22H27N6O+ MolecularWeight: 391.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)NCC3=CC=CC=C3CN4C=CC=N4

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)NCC3=CC=CC=C3CN4C=CC=N4

InChI

InChI=1S/C22H26N6O/c29-22(24-15-18-8-9-21(23-14-18)27-11-3-4-12-27)25-16-19-6-1-2-7-20(19)17-28-13-5-10-26-28/h1-2,5-10,13-14H,3-4,11-12,15-17H2,(H2,24,25,29)/p+1