1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-piperonyl-thiourea Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=S)NCC2=CC3=C(C=C2)OCO3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=S)NCC2=CC3=C(C=C2)OCO3)C4=CC=CO4

InChI

InChI=1S/C19H23N3O3S/c26-19(20-11-14-5-6-17-18(10-14)25-13-24-17)21-12-15(16-4-3-9-23-16)22-7-1-2-8-22/h3-6,9-10,15H,1-2,7-8,11-13H2,(H2,20,21,26)/p+1/t15-/m1/s1