1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenyl-ethyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenyl-ethyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenyl-ethyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-phenylethyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylethyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenyl-ethyl]thiourea Formula: C21H26ClFN3S+ MolecularWeight: 406.967643

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=S)NC2=CC(=C(C=C2)F)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=S)NC2=CC(=C(C=C2)F)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H25ClFN3S/c1-15-9-11-26(12-10-15)20(16-5-3-2-4-6-16)14-24-21(27)25-17-7-8-19(23)18(22)13-17/h2-8,13,15,20H,9-12,14H2,1H3,(H2,24,25,27)/p+1/t20-/m1/s1