1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(3-methylsulfanylpropyl)thiourea

Systemtic Name: 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-[3-(methylthio)propyl]thiourea Formula: C18H30N3O2S2+ MolecularWeight: 384.5797

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)NCCCSC)[NH+]2CCOCC2

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=S)NCCCSC)[NH+]2CCOCC2

InChI

InChI=1S/C18H29N3O2S2/c1-22-16-6-4-15(5-7-16)17(21-9-11-23-12-10-21)14-20-18(24)19-8-3-13-25-2/h4-7,17H,3,8-14H2,1-2H3,(H2,19,20,24)/p+1/t17-/m0/s1