1,3-diethyl-5-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1,3-diethyl-5-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylene]-1,3-diethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-diethyl-5-[[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylene]-1,3-diethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H29N4O2S+ MolecularWeight: 401.54556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CNC2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)N(C1=S)CC

Isomeric SMILES

CCN1C(=O)C(=CNC2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)N(C1=S)CC

InChI

InChI=1S/C21H28N4O2S/c1-3-24-19(26)18(20(27)25(4-2)21(24)28)14-22-17-10-12-23(13-11-17)15-16-8-6-5-7-9-16/h5-9,14,17,22H,3-4,10-13,15H2,1-2H3/p+1