1-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea

Systemtic Name: 1-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea Openeye Name: 1-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-[[2-(2-thienyl)oxazol-4-yl]methyl]urea CAS Name: 1-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-[(2-thiophen-2-yl-4-oxazolyl)methyl]urea IUPAC Name: 1-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea Traditional Name: 1-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-3-[[2-(2-thienyl)oxazol-4-yl]methyl]urea Formula: C22H27N4O2S+ MolecularWeight: 411.54038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)NCC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)NCC3=COC(=N3)C4=CC=CS4

InChI

InChI=1S/C22H26N4O2S/c27-22(24-14-19-16-28-21(25-19)20-5-4-12-29-20)23-13-17-6-8-18(9-7-17)15-26-10-2-1-3-11-26/h4-9,12,16H,1-3,10-11,13-15H2,(H2,23,24,27)/p+1