3-(5-chloranyl-2-methyl-phenyl)-1-(furan-2-ylmethyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]thiourea

Systemtic Name: 3-(5-chloranyl-2-methyl-phenyl)-1-(furan-2-ylmethyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]thiourea Openeye Name: 3-(5-chloro-2-methyl-phenyl)-1-(2-furylmethyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]thiourea CAS Name: 3-(5-chloro-2-methylphenyl)-1-(2-furanylmethyl)-1-[3-(3-methyl-1-piperidin-1-iumyl)propyl]thiourea IUPAC Name: 3-(5-chloro-2-methylphenyl)-1-(furan-2-ylmethyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]thiourea Traditional Name: 3-(5-chloro-2-methyl-phenyl)-1-(2-furfuryl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]thiourea Formula: C22H31ClN3OS+ MolecularWeight: 421.01904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN3OS/c1-17-6-3-10-25(15-17)11-5-12-26(16-20-7-4-13-27-20)22(28)24-21-14-19(23)9-8-18(21)2/h4,7-9,13-14,17H,3,5-6,10-12,15-16H2,1-2H3,(H,24,28)/p+1