1-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea

Systemtic Name: 1-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Openeye Name: 1-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-[2-(p-tolylmethylsulfanyl)ethyl]urea CAS Name: 1-[2-[(4-methylphenyl)methylthio]ethyl]-3-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Traditional Name: 1-[2-[(4-methylbenzyl)thio]ethyl]-3-[(6-morpholinopyridin-1-ium-3-yl)methyl]urea Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C21H28N4O2S/c1-17-2-4-18(5-3-17)16-28-13-8-22-21(26)24-15-19-6-7-20(23-14-19)25-9-11-27-12-10-25/h2-7,14H,8-13,15-16H2,1H3,(H2,22,24,26)/p+1