1-cycloheptyl-4,6-bis(oxidanylidene)-5-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]methylidene]pyrimidin-2-olate

Systemtic Name: 1-cycloheptyl-4,6-bis(oxidanylidene)-5-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]methylidene]pyrimidin-2-olate Openeye Name: 5-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylene]-1-cycloheptyl-4,6-dioxo-pyrimidin-2-olate CAS Name: 1-cycloheptyl-4,6-dioxo-5-[[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methylidene]-2-pyrimidinolate IUPAC Name: 5-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylidene]-1-cycloheptyl-4,6-dioxopyrimidin-2-olate Traditional Name: 5-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylene]-1-cycloheptyl-4,6-diketo-pyrimidin-2-olate Formula: C24H32N4O3 MolecularWeight: 424.53588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C(=O)C(=CNC3CC[NH+](CC3)CC4=CC=CC=C4)C(=O)N=C2[O-]

Isomeric SMILES

C1CCCC(CC1)N2C(=O)C(=CNC3CC[NH+](CC3)CC4=CC=CC=C4)C(=O)N=C2[O-]

InChI

InChI=1S/C24H32N4O3/c29-22-21(23(30)28(24(31)26-22)20-10-6-1-2-7-11-20)16-25-19-12-14-27(15-13-19)17-18-8-4-3-5-9-18/h3-5,8-9,16,19-20,25H,1-2,6-7,10-15,17H2,(H,26,29,31)