1-(4,6-dimethylpyrimidin-2-yl)-1-(furan-2-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-(furan-2-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-(2-furylmethyl)piperidin-1-ium-3-carboxamide CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-1-(2-furanylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-(furan-2-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-(2-furfuryl)piperidin-1-ium-3-carboxamide Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[N+]2(CCCC(C2)C(=O)N)CC3=CC=CO3)C

Isomeric SMILES

CC1=CC(=NC(=N1)[N+]2(CCCC(C2)C(=O)N)CC3=CC=CO3)C

InChI

InChI=1S/C17H22N4O2/c1-12-9-13(2)20-17(19-12)21(11-15-6-4-8-23-15)7-3-5-14(10-21)16(18)22/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H-,18,22)/p+1