3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-1-(phenylmethyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea

Systemtic Name: 3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-1-(phenylmethyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea Openeye Name: 1-benzyl-3-(2-morpholino-2-oxo-ethyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea CAS Name: 3-[2-(4-morpholinyl)-2-oxoethyl]-1-(phenylmethyl)-1-(3-pyridin-1-iumylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea Traditional Name: 1-benzyl-3-(2-keto-2-morpholino-ethyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CNC(=S)N(CC2=CC=CC=C2)CC3=C[NH+]=CC=C3

Isomeric SMILES

C1COCCN1C(=O)CNC(=S)N(CC2=CC=CC=C2)CC3=C[NH+]=CC=C3

InChI

InChI=1S/C20H24N4O2S/c25-19(23-9-11-26-12-10-23)14-22-20(27)24(15-17-5-2-1-3-6-17)16-18-7-4-8-21-13-18/h1-8,13H,9-12,14-16H2,(H,22,27)/p+1