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

Systemtic Name: 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-thiourea Openeye Name: 1-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-thiourea CAS Name: 1-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-methylthiourea IUPAC Name: 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-methylthiourea Traditional Name: 1-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-thiourea Formula: C13H22N3OS+ MolecularWeight: 268.39828

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NCC(C1=CC=CO1)[NH+]2CCCCC2

Isomeric SMILES

CNC(=S)NC[C@H](C1=CC=CO1)[NH+]2CCCCC2

InChI

InChI=1S/C13H21N3OS/c1-14-13(18)15-10-11(12-6-5-9-17-12)16-7-3-2-4-8-16/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,14,15,18)/p+1/t11-/m1/s1