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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-piperonyl-thiourea Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=S)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=S)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H24ClN3O2S/c22-17-6-2-1-5-16(17)18(25-9-3-4-10-25)13-24-21(28)23-12-15-7-8-19-20(11-15)27-14-26-19/h1-2,5-8,11,18H,3-4,9-10,12-14H2,(H2,23,24,28)/p+1/t18-/m0/s1