1-[2-(cyclohexen-1-yl)ethyl]-6-oxidanylidene-5-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]methylidene]-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-oxidanylidene-5-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylene]-1-[2-(cyclohexen-1-yl)ethyl]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 1-[2-(1-cyclohexenyl)ethyl]-6-oxo-5-[[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylene]-1-[2-(cyclohexen-1-yl)ethyl]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C25H32N4O2S MolecularWeight: 452.61218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C(=CNC3CC[NH+](CC3)CC4=CC=CC=C4)C(=NC2=S)[O-]

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C(=CNC3CC[NH+](CC3)CC4=CC=CC=C4)C(=NC2=S)[O-]

InChI

InChI=1S/C25H32N4O2S/c30-23-22(24(31)29(25(32)27-23)16-11-19-7-3-1-4-8-19)17-26-21-12-14-28(15-13-21)18-20-9-5-2-6-10-20/h2,5-7,9-10,17,21,26H,1,3-4,8,11-16,18H2,(H,27,30,32)