1-(4-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(4-chlorophenyl)-3-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Formula: C18H23ClN3OS+ MolecularWeight: 364.91272

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=S)NC2=CC=C(C=C2)Cl)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=S)NC2=CC=C(C=C2)Cl)C3=CC=CO3

InChI

InChI=1S/C18H22ClN3OS/c19-14-6-8-15(9-7-14)21-18(24)20-13-16(17-5-4-12-23-17)22-10-2-1-3-11-22/h4-9,12,16H,1-3,10-11,13H2,(H2,20,21,24)/p+1/t16-/m0/s1