1-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea Openeye Name: 1-(2-furylmethyl)-1-(2-piperidin-1-ium-1-ylethyl)-3-(p-tolyl)thiourea CAS Name: 1-(2-furanylmethyl)-3-(4-methylphenyl)-1-[2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea Traditional Name: 1-(2-furfuryl)-1-(2-piperidin-1-ium-1-ylethyl)-3-(p-tolyl)thiourea Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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