1-(4,6-dimethylpyrimidin-2-yl)-1-[4-(furan-2-yl)butan-2-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-[4-(furan-2-yl)butan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-[3-(2-furyl)-1-methyl-propyl]piperidin-1-ium-3-carboxamide CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-1-[4-(2-furanyl)butan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-[4-(furan-2-yl)butan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-[3-(2-furyl)-1-methyl-propyl]piperidin-1-ium-3-carboxamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[N+]2(CCCC(C2)C(=O)N)C(C)CCC3=CC=CO3)C

Isomeric SMILES

CC1=CC(=NC(=N1)[N+]2(CCCC(C2)C(=O)N)C(C)CCC3=CC=CO3)C

InChI

InChI=1S/C20H28N4O2/c1-14-12-15(2)23-20(22-14)24(10-4-6-17(13-24)19(21)25)16(3)8-9-18-7-5-11-26-18/h5,7,11-12,16-17H,4,6,8-10,13H2,1-3H3,(H-,21,25)/p+1