1-(furan-2-ylmethyl)-3-(3-methylphenyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-(3-methylphenyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea Openeye Name: 1-(2-furylmethyl)-3-(m-tolyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea CAS Name: 1-(2-furanylmethyl)-3-(3-methylphenyl)-1-[2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-(3-methylphenyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea Traditional Name: 1-(2-furfuryl)-3-(m-tolyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea Formula: C20H28N3OS+ MolecularWeight: 358.52082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N(CC[NH+]2CCCCC2)CC3=CC=CO3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N(CC[NH+]2CCCCC2)CC3=CC=CO3

InChI

InChI=1S/C20H27N3OS/c1-17-7-5-8-18(15-17)21-20(25)23(16-19-9-6-14-24-19)13-12-22-10-3-2-4-11-22/h5-9,14-15H,2-4,10-13,16H2,1H3,(H,21,25)/p+1