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

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-5-(piperidin-1-ium-1-ylmethyl)furan-2-carboxamide Openeye Name: N-(4,6-dimethylpyrimidin-2-yl)-5-(piperidin-1-ium-1-ylmethyl)furan-2-carboxamide CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-5-(1-piperidin-1-iumylmethyl)-2-furancarboxamide IUPAC Name: N-(4,6-dimethylpyrimidin-2-yl)-5-(piperidin-1-ium-1-ylmethyl)furan-2-carboxamide Traditional Name: N-(4,6-dimethylpyrimidin-2-yl)-5-(piperidin-1-ium-1-ylmethyl)-2-furamide Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)C2=CC=C(O2)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)C2=CC=C(O2)C[NH+]3CCCCC3)C

InChI

InChI=1S/C17H22N4O2/c1-12-10-13(2)19-17(18-12)20-16(22)15-7-6-14(23-15)11-21-8-4-3-5-9-21/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,18,19,20,22)/p+1