1-tert-butyl-3-[1-[4-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[1-[4-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea Openeye Name: 1-tert-butyl-3-[1-[4-oxo-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea CAS Name: 1-tert-butyl-3-[1-[4-oxo-3-(1-piperidin-1-iumylmethyl)-1-cyclohexa-2,5-dienylidene]ethylamino]thiourea IUPAC Name: 1-tert-butyl-3-[1-[4-oxo-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea Traditional Name: 1-tert-butyl-3-[1-[4-keto-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea Formula: C19H31N4OS+ MolecularWeight: 363.54064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC(=O)C(=C1)C[NH+]2CCCCC2)NNC(=S)NC(C)(C)C

Isomeric SMILES

CC(=C1C=CC(=O)C(=C1)C[NH+]2CCCCC2)NNC(=S)NC(C)(C)C

InChI

InChI=1S/C19H30N4OS/c1-14(21-22-18(25)20-19(2,3)4)15-8-9-17(24)16(12-15)13-23-10-6-5-7-11-23/h8-9,12,21H,5-7,10-11,13H2,1-4H3,(H2,20,22,25)/p+1