(E)-[4-methylideneoxonio-6-(propan-2-ylcarbamoyl)-1H-pyridin-2-ylidene]-(propan-2-ylamino)methanolate

Systemtic Name: (E)-[4-methylideneoxonio-6-(propan-2-ylcarbamoyl)-1H-pyridin-2-ylidene]-(propan-2-ylamino)methanolate Openeye Name: (E)-(isopropylamino)-[6-(isopropylcarbamoyl)-4-methyleneoxonio-1H-pyridin-2-ylidene]methanolate CAS Name: (E)-[4-methyleneoxonio-6-[oxo-(propan-2-ylamino)methyl]-1H-pyridin-2-ylidene]-(propan-2-ylamino)methanolate IUPAC Name: (E)-[4-methylideneoxonio-6-(propan-2-ylcarbamoyl)-1H-pyridin-2-ylidene]-(propan-2-ylamino)methanolate Traditional Name: (E)-(isopropylamino)-[6-(isopropylcarbamoyl)-4-methyleneoxonio-1H-pyridin-2-ylidene]methanolate Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=CC(=C(NC(C)C)[O-])N1)[O+]=C

Isomeric SMILES

CC(C)NC(=O)C1=CC(=C/C(=C(/NC(C)C)\[O-])/N1)[O+]=C

InChI

InChI=1S/C14H21N3O3/c1-8(2)15-13(18)11-6-10(20-5)7-12(17-11)14(19)16-9(3)4/h6-9,17H,5H2,1-4H3,(H2-,15,16,18,19)