5-(furan-2-yl)-2-[(piperidin-1-ium-4-ylmethylamino)methylidene]cyclohexane-1,3-dione

Systemtic Name: 5-(furan-2-yl)-2-[(piperidin-1-ium-4-ylmethylamino)methylidene]cyclohexane-1,3-dione Openeye Name: 5-(2-furyl)-2-[(piperidin-1-ium-4-ylmethylamino)methylene]cyclohexane-1,3-dione CAS Name: 5-(2-furanyl)-2-[(4-piperidin-1-iumylmethylamino)methylidene]cyclohexane-1,3-dione IUPAC Name: 5-(furan-2-yl)-2-[(piperidin-1-ium-4-ylmethylamino)methylidene]cyclohexane-1,3-dione Traditional Name: 5-(2-furyl)-2-[(piperidin-1-ium-4-ylmethylamino)methylene]cyclohexane-1,3-quinone Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1CNC=C2C(=O)CC(CC2=O)C3=CC=CO3

Isomeric SMILES

C1C[NH2+]CCC1CNC=C2C(=O)CC(CC2=O)C3=CC=CO3

InChI

InChI=1S/C17H22N2O3/c20-15-8-13(17-2-1-7-22-17)9-16(21)14(15)11-19-10-12-3-5-18-6-4-12/h1-2,7,11-13,18-19H,3-6,8-10H2/p+1