1-(1-adamantyl)-3-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]urea

Systemtic Name: 1-(1-adamantyl)-3-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]urea Openeye Name: 1-(1-adamantyl)-3-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]urea CAS Name: 1-(1-adamantyl)-3-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]urea IUPAC Name: 1-(1-adamantyl)-3-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]urea Traditional Name: 1-(1-adamantyl)-3-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]urea Formula: C20H31N4OS+ MolecularWeight: 375.55134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H30N4OS/c25-18(23-20-9-14-6-15(10-20)8-16(7-14)11-20)22-19-21-17(13-26-19)12-24-4-2-1-3-5-24/h13-16H,1-12H2,(H2,21,22,23,25)/p+1