1-(3-bromophenyl)-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(3-bromophenyl)-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(3-bromophenyl)-3-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(3-bromophenyl)-3-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(3-bromophenyl)-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(3-bromophenyl)-3-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Formula: C18H23BrN3OS+ MolecularWeight: 409.36372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3OS/c19-14-6-4-7-15(12-14)21-18(24)20-13-16(17-8-5-11-23-17)22-9-2-1-3-10-22/h4-8,11-12,16H,1-3,9-10,13H2,(H2,20,21,24)/p+1/t16-/m1/s1