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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-piperonyl-thiourea Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S/c23-16(17-4-1-5-19-6-8-20-9-7-19)18-11-13-2-3-14-15(10-13)22-12-21-14/h2-3,10H,1,4-9,11-12H2,(H2,17,18,23)/p+1