3-(5-chloranyl-2-methyl-phenyl)-1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea

Systemtic Name: 3-(5-chloranyl-2-methyl-phenyl)-1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea Openeye Name: 3-(5-chloro-2-methyl-phenyl)-1-(2-furylmethyl)-1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea CAS Name: 3-(5-chloro-2-methylphenyl)-1-(2-furanylmethyl)-1-[3-(4-methyl-1-piperidin-1-iumyl)propyl]thiourea IUPAC Name: 3-(5-chloro-2-methylphenyl)-1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea Traditional Name: 3-(5-chloro-2-methyl-phenyl)-1-(2-furfuryl)-1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea Formula: C22H31ClN3OS+ MolecularWeight: 421.01904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN3OS/c1-17-8-12-25(13-9-17)10-4-11-26(16-20-5-3-14-27-20)22(28)24-21-15-19(23)7-6-18(21)2/h3,5-7,14-15,17H,4,8-13,16H2,1-2H3,(H,24,28)/p+1