4-(1-methylpyrazol-4-yl)-N-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrimidin-2-amine

Systemtic Name: 4-(1-methylpyrazol-4-yl)-N-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrimidin-2-amine Openeye Name: 4-(1-methylpyrazol-4-yl)-N-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrimidin-2-amine CAS Name: 4-(1-methyl-4-pyrazolyl)-N-[[3-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-pyrimidinamine IUPAC Name: 4-(1-methylpyrazol-4-yl)-N-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrimidin-2-amine Traditional Name: [4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-[3-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amine Formula: C20H25N6+ MolecularWeight: 349.4527

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NC(=NC=C2)NCC3=CC(=CC=C3)C[NH+]4CCCC4

Isomeric SMILES

CN1C=C(C=N1)C2=NC(=NC=C2)NCC3=CC(=CC=C3)C[NH+]4CCCC4

InChI

InChI=1S/C20H24N6/c1-25-15-18(13-23-25)19-7-8-21-20(24-19)22-12-16-5-4-6-17(11-16)14-26-9-2-3-10-26/h4-8,11,13,15H,2-3,9-10,12,14H2,1H3,(H,21,22,24)/p+1