1-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea Openeye Name: 1-(2-furylmethyl)-1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-(p-tolyl)thiourea CAS Name: 1-(2-furanylmethyl)-3-(4-methylphenyl)-1-[3-(4-methyl-1-piperidin-1-iumyl)propyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea Traditional Name: 1-(2-furfuryl)-1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-(p-tolyl)thiourea Formula: C22H32N3OS+ MolecularWeight: 386.57398

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)C

Isomeric SMILES

CC1CC[NH+](CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)C

InChI

InChI=1S/C22H31N3OS/c1-18-6-8-20(9-7-18)23-22(27)25(17-21-5-3-16-26-21)13-4-12-24-14-10-19(2)11-15-24/h3,5-9,16,19H,4,10-15,17H2,1-2H3,(H,23,27)/p+1