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

Systemtic Name: 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea CAS Name: 1-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]thiourea Traditional Name: 1-benzyl-3-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)NCC2=CC=CC=C2)[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=S)NCC2=CC=CC=C2)[NH+]3CCOCC3

InChI

InChI=1S/C21H27N3O2S/c1-25-19-9-7-18(8-10-19)20(24-11-13-26-14-12-24)16-23-21(27)22-15-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H2,22,23,27)/p+1/t20-/m0/s1