1-[(3,4-dimethoxyphenyl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-veratryl-thiourea Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NCCC[NH+]2CCOCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NCCC[NH+]2CCOCC2)OC

InChI

InChI=1S/C17H27N3O3S/c1-21-15-5-4-14(12-16(15)22-2)13-19-17(24)18-6-3-7-20-8-10-23-11-9-20/h4-5,12H,3,6-11,13H2,1-2H3,(H2,18,19,24)/p+1