1-(3,5-dimethylphenyl)-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NCC(C2=CC=CO2)[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NC[C@H](C2=CC=CO2)[NH+]3CCCCC3)C

InChI

InChI=1S/C20H27N3OS/c1-15-11-16(2)13-17(12-15)22-20(25)21-14-18(19-7-6-10-24-19)23-8-4-3-5-9-23/h6-7,10-13,18H,3-5,8-9,14H2,1-2H3,(H2,21,22,25)/p+1/t18-/m1/s1