1-(furan-2-ylmethyl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(2-furylmethyl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(2-furanylmethyl)-3-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(2-furfuryl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)NCC2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=S)NCC2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C20H27N3O2S/c1-24-17-9-7-16(8-10-17)19(23-11-3-2-4-12-23)15-22-20(26)21-14-18-6-5-13-25-18/h5-10,13,19H,2-4,11-12,14-15H2,1H3,(H2,21,22,26)/p+1/t19-/m0/s1