1-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-3-phenethyl-thiourea

Systemtic Name: 1-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-3-phenethyl-thiourea Openeye Name: 1-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-3-phenethyl-thiourea CAS Name: 1-[[3-[(2R,6R)-2,6-dimethyl-4-morpholin-4-iumyl]-1-oxopropyl]amino]-3-phenethylthiourea IUPAC Name: 1-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-3-phenethylthiourea Traditional Name: 1-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-3-phenethyl-thiourea Formula: C18H29N4O2S+ MolecularWeight: 365.51346

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CCC(=O)NNC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

C[C@@H]1C[NH+](C[C@H](O1)C)CCC(=O)NNC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C18H28N4O2S/c1-14-12-22(13-15(2)24-14)11-9-17(23)20-21-18(25)19-10-8-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,20,23)(H2,19,21,25)/p+1/t14-,15-/m1/s1