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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C15H22N3O3S+ MolecularWeight: 324.41848

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H21N3O3S/c22-15(16-4-1-5-18-6-8-19-9-7-18)17-12-2-3-13-14(10-12)21-11-20-13/h2-3,10H,1,4-9,11H2,(H2,16,17,22)/p+1