1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Formula: C20H27ClN3OS+ MolecularWeight: 392.96588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC(C2=CC=CO2)[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NC[C@H](C2=CC=CO2)[NH+]3CCCCC3)C

InChI

InChI=1S/C20H26ClN3OS/c1-14-11-15(2)19(16(21)12-14)23-20(26)22-13-17(18-7-6-10-25-18)24-8-4-3-5-9-24/h6-7,10-12,17H,3-5,8-9,13H2,1-2H3,(H2,22,23,26)/p+1/t17-/m1/s1