N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-5-ium-2-amine

Systemtic Name: N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-5-ium-2-amine Openeye Name: N-[(6-pyrazol-1-yl-3-pyridyl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-5-ium-2-amine CAS Name: N-[[6-(1-pyrazolyl)-3-pyridinyl]methyl]-4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-5-ium-2-amine IUPAC Name: N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-5-ium-2-amine Traditional Name: (4,6-dipyrrolidino-s-triazin-5-ium-2-yl)-[(6-pyrazol-1-yl-3-pyridyl)methyl]amine Formula: C20H26N9+ MolecularWeight: 392.48074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C(=NC(=N2)NCC3=CN=C(C=C3)N4C=CC=N4)N5CCCC5

Isomeric SMILES

C1CCN(C1)C2=[NH+]C(=NC(=N2)NCC3=CN=C(C=C3)N4C=CC=N4)N5CCCC5

InChI

InChI=1S/C20H25N9/c1-2-10-27(9-1)19-24-18(25-20(26-19)28-11-3-4-12-28)22-15-16-6-7-17(21-14-16)29-13-5-8-23-29/h5-8,13-14H,1-4,9-12,15H2,(H,22,24,25,26)/p+1