2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-[[4-(4-chlorophenyl)-6-methyl-2-pyrimidinyl]thio]-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-[[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]thio]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C20H26ClN4O2S+ MolecularWeight: 421.96404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=C(C=C2)Cl)SCC(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=C(C=C2)Cl)SCC(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C20H25ClN4O2S/c1-15-13-18(16-3-5-17(21)6-4-16)24-20(23-15)28-14-19(26)22-7-2-8-25-9-11-27-12-10-25/h3-6,13H,2,7-12,14H2,1H3,(H,22,26)/p+1