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

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

CC1CCC[NH+](C1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)C

Isomeric SMILES

CC1CCC[NH+](C1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)C

InChI

InChI=1S/C22H31N3OS/c1-18-8-10-20(11-9-18)23-22(27)25(17-21-7-4-15-26-21)14-5-13-24-12-3-6-19(2)16-24/h4,7-11,15,19H,3,5-6,12-14,16-17H2,1-2H3,(H,23,27)/p+1