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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C14H20N3O3S+ MolecularWeight: 310.3919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3S/c21-14(15-3-4-17-5-7-18-8-6-17)16-11-1-2-12-13(9-11)20-10-19-12/h1-2,9H,3-8,10H2,(H2,15,16,21)/p+1