3-(2-ethyl-6-methyl-phenyl)-1-(2-methoxyethyl)-1-(1-pyridin-1-ium-3-ylethyl)thiourea

Systemtic Name: 3-(2-ethyl-6-methyl-phenyl)-1-(2-methoxyethyl)-1-(1-pyridin-1-ium-3-ylethyl)thiourea Openeye Name: 3-(2-ethyl-6-methyl-phenyl)-1-(2-methoxyethyl)-1-(1-pyridin-1-ium-3-ylethyl)thiourea CAS Name: 3-(2-ethyl-6-methylphenyl)-1-(2-methoxyethyl)-1-[1-(3-pyridin-1-iumyl)ethyl]thiourea IUPAC Name: 3-(2-ethyl-6-methylphenyl)-1-(2-methoxyethyl)-1-(1-pyridin-1-ium-3-ylethyl)thiourea Traditional Name: 3-(2-ethyl-6-methyl-phenyl)-1-(2-methoxyethyl)-1-(1-pyridin-1-ium-3-ylethyl)thiourea Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N(CCOC)C(C)C2=C[NH+]=CC=C2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N(CCOC)C(C)C2=C[NH+]=CC=C2)C

InChI

InChI=1S/C20H27N3OS/c1-5-17-9-6-8-15(2)19(17)22-20(25)23(12-13-24-4)16(3)18-10-7-11-21-14-18/h6-11,14,16H,5,12-13H2,1-4H3,(H,22,25)/p+1