1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[3-[(2R,6R)-2,6-dimethyl-4-morpholin-4-iumyl]-1-oxopropyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]thiourea Traditional Name: 1-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-3-piperonyl-thiourea Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CCC(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@@H]1C[NH+](C[C@H](O1)C)CCC(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H26N4O4S/c1-12-9-22(10-13(2)26-12)6-5-17(23)20-21-18(27)19-8-14-3-4-15-16(7-14)25-11-24-15/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H,20,23)(H2,19,21,27)/p+1/t12-,13-/m1/s1