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

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C19H25ClN3OS+ MolecularWeight: 378.9393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC(C2=CC=CO2)[NH+]3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NC[C@H](C2=CC=CO2)[NH+]3CCCC3)C

InChI

InChI=1S/C19H24ClN3OS/c1-13-10-14(2)18(15(20)11-13)22-19(25)21-12-16(17-6-5-9-24-17)23-7-3-4-8-23/h5-6,9-11,16H,3-4,7-8,12H2,1-2H3,(H2,21,22,25)/p+1/t16-/m1/s1