N-(4,6-dimethylpyrimidin-2-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide Openeye Name: N-(4,6-dimethylpyrimidin-2-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-5-(1-pyrrolidin-1-iumylmethyl)-2-furancarboxamide IUPAC Name: N-(4,6-dimethylpyrimidin-2-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide Traditional Name: N-(4,6-dimethylpyrimidin-2-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)-2-furamide Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)C2=CC=C(O2)C[NH+]3CCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)C2=CC=C(O2)C[NH+]3CCCC3)C

InChI

InChI=1S/C16H20N4O2/c1-11-9-12(2)18-16(17-11)19-15(21)14-6-5-13(22-14)10-20-7-3-4-8-20/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,18,19,21)/p+1