1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-homoveratryl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S/c1-22-16-5-4-15(14-17(16)23-2)6-8-20-18(25)19-7-3-9-21-10-12-24-13-11-21/h4-5,14H,3,6-13H2,1-2H3,(H2,19,20,25)/p+1