2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carboxamide Openeye Name: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carboxamide CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-4,6-dimethyl-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,6-dimethylpyridin-1-ium-3-carboxamide Traditional Name: 2-[4-(2-furoyl)piperazino]-4,6-dimethyl-pyridin-1-ium-3-carboxamide Formula: C17H21N4O3+ MolecularWeight: 329.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C(=O)N)N2CCN(CC2)C(=O)C3=CC=CO3)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C(=O)N)N2CCN(CC2)C(=O)C3=CC=CO3)C

InChI

InChI=1S/C17H20N4O3/c1-11-10-12(2)19-16(14(11)15(18)22)20-5-7-21(8-6-20)17(23)13-4-3-9-24-13/h3-4,9-10H,5-8H2,1-2H3,(H2,18,22)/p+1