2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[(1-propyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C16H26N5OS+ MolecularWeight: 336.47554

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(=NNC(=O)CSC2=NC(=CC(=N2)C)C)CC1

Isomeric SMILES

CCC[NH+]1CCC(=NNC(=O)CSC2=NC(=CC(=N2)C)C)CC1

InChI

InChI=1S/C16H25N5OS/c1-4-7-21-8-5-14(6-9-21)19-20-15(22)11-23-16-17-12(2)10-13(3)18-16/h10H,4-9,11H2,1-3H3,(H,20,22)/p+1