1-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-bis(oxidanylidene)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]pyrimidin-2-olate

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-bis(oxidanylidene)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]pyrimidin-2-olate Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dioxo-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]pyrimidin-2-olate CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dioxo-5-[[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-2-pyrimidinolate IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dioxo-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]pyrimidin-2-olate Traditional Name: 1-homoveratryl-4,6-diketo-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]pyrimidin-2-olate Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C(=CNCC[NH+]3CCCCC3)C(=O)N=C2[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C(=CNCC[NH+]3CCCCC3)C(=O)N=C2[O-])OC

InChI

InChI=1S/C22H30N4O5/c1-30-18-7-6-16(14-19(18)31-2)8-12-26-21(28)17(20(27)24-22(26)29)15-23-9-13-25-10-4-3-5-11-25/h6-7,14-15,23H,3-5,8-13H2,1-2H3,(H,24,27,29)