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

Systemtic Name: 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-phenethyl-thiourea Openeye Name: 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-phenethyl-thiourea CAS Name: 1-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-phenethylthiourea IUPAC Name: 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-3-phenethylthiourea Traditional Name: 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-phenethyl-thiourea Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)NCCC2=CC=CC=C2)[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=S)NCCC2=CC=CC=C2)[NH+]3CCOCC3

InChI

InChI=1S/C22H29N3O2S/c1-26-20-9-7-19(8-10-20)21(25-13-15-27-16-14-25)17-24-22(28)23-12-11-18-5-3-2-4-6-18/h2-10,21H,11-17H2,1H3,(H2,23,24,28)/p+1/t21-/m0/s1