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

Systemtic Name: 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(4-nitrophenyl)thiourea Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCOCC3

InChI

InChI=1S/C20H24N4O4S/c1-27-18-8-2-15(3-9-18)19(23-10-12-28-13-11-23)14-21-20(29)22-16-4-6-17(7-5-16)24(25)26/h2-9,19H,10-14H2,1H3,(H2,21,22,29)/p+1/t19-/m0/s1