3-(5-chloranyl-2-methyl-phenyl)-1-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 3-(5-chloranyl-2-methyl-phenyl)-1-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-(5-chloro-2-methyl-phenyl)-1-(2-furylmethyl)-1-(1-isopropylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-(5-chloro-2-methylphenyl)-1-(2-furanylmethyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-(5-chloro-2-methylphenyl)-1-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-(5-chloro-2-methyl-phenyl)-1-(2-furfuryl)-1-(1-isopropylpiperidin-1-ium-4-yl)thiourea Formula: C21H29ClN3OS+ MolecularWeight: 406.99246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)N(CC2=CC=CO2)C3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)N(CC2=CC=CO2)C3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C21H28ClN3OS/c1-15(2)24-10-8-18(9-11-24)25(14-19-5-4-12-26-19)21(27)23-20-13-17(22)7-6-16(20)3/h4-7,12-13,15,18H,8-11,14H2,1-3H3,(H,23,27)/p+1