1-(1,3-benzodioxol-5-ylmethyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-piperonyl-thiourea Formula: C15H22N3O3S+ MolecularWeight: 324.41848

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H21N3O3S/c22-15(16-3-4-18-5-7-19-8-6-18)17-10-12-1-2-13-14(9-12)21-11-20-13/h1-2,9H,3-8,10-11H2,(H2,16,17,22)/p+1