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

Systemtic Name: 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenethyl-thiourea Openeye Name: 1-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenethyl-thiourea CAS Name: 1-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-phenethylthiourea IUPAC Name: 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-phenethylthiourea Traditional Name: 1-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenethyl-thiourea Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=S)NCCC2=CC=CC=C2)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CNC(=S)NCCC2=CC=CC=C2)C3=CC=CO3

InChI

InChI=1S/C20H27N3OS/c25-20(21-12-11-17-8-3-1-4-9-17)22-16-18(19-10-7-15-24-19)23-13-5-2-6-14-23/h1,3-4,7-10,15,18H,2,5-6,11-14,16H2,(H2,21,22,25)/p+1/t18-/m1/s1