3-(2-ethyl-6-methyl-phenyl)-1-(furan-2-ylmethyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea

Systemtic Name: 3-(2-ethyl-6-methyl-phenyl)-1-(furan-2-ylmethyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea Openeye Name: 3-(2-ethyl-6-methyl-phenyl)-1-(2-furylmethyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea CAS Name: 3-(2-ethyl-6-methylphenyl)-1-(2-furanylmethyl)-1-[2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 3-(2-ethyl-6-methylphenyl)-1-(furan-2-ylmethyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea Traditional Name: 3-(2-ethyl-6-methyl-phenyl)-1-(2-furfuryl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea Formula: C22H32N3OS+ MolecularWeight: 386.57398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N(CC[NH+]2CCCCC2)CC3=CC=CO3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N(CC[NH+]2CCCCC2)CC3=CC=CO3)C

InChI

InChI=1S/C22H31N3OS/c1-3-19-10-7-9-18(2)21(19)23-22(27)25(17-20-11-8-16-26-20)15-14-24-12-5-4-6-13-24/h7-11,16H,3-6,12-15,17H2,1-2H3,(H,23,27)/p+1