1-cycloheptyl-4,6-bis(oxidanylidene)-5-[(pyridin-1-ium-3-ylmethylamino)methylidene]pyrimidin-2-olate

Systemtic Name: 1-cycloheptyl-4,6-bis(oxidanylidene)-5-[(pyridin-1-ium-3-ylmethylamino)methylidene]pyrimidin-2-olate Openeye Name: 1-cycloheptyl-4,6-dioxo-5-[(pyridin-1-ium-3-ylmethylamino)methylene]pyrimidin-2-olate CAS Name: 1-cycloheptyl-4,6-dioxo-5-[(3-pyridin-1-iumylmethylamino)methylidene]-2-pyrimidinolate IUPAC Name: 1-cycloheptyl-4,6-dioxo-5-[(pyridin-1-ium-3-ylmethylamino)methylidene]pyrimidin-2-olate Traditional Name: 1-cycloheptyl-4,6-diketo-5-[(pyridin-1-ium-3-ylmethylamino)methylene]pyrimidin-2-olate Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C(=O)C(=CNCC3=C[NH+]=CC=C3)C(=O)N=C2[O-]

Isomeric SMILES

C1CCCC(CC1)N2C(=O)C(=CNCC3=C[NH+]=CC=C3)C(=O)N=C2[O-]

InChI

InChI=1S/C18H22N4O3/c23-16-15(12-20-11-13-6-5-9-19-10-13)17(24)22(18(25)21-16)14-7-3-1-2-4-8-14/h5-6,9-10,12,14,20H,1-4,7-8,11H2,(H,21,23,25)