N-[(4-chloranyl-1-methyl-pyridin-1-ium-2-yl)methyl]ethanamide; methyl sulfate

Systemtic Name: N-[(4-chloranyl-1-methyl-pyridin-1-ium-2-yl)methyl]ethanamide; methyl sulfate Openeye Name: N-[(4-chloro-1-methyl-pyridin-1-ium-2-yl)methyl]acetamide; methyl sulfate CAS Name: N-[(4-chloro-1-methyl-2-pyridin-1-iumyl)methyl]acetamide; methyl sulfate IUPAC Name: N-[(4-chloro-1-methylpyridin-1-ium-2-yl)methyl]acetamide; methyl sulfate Traditional Name: N-[(4-chloro-1-methyl-pyridin-1-ium-2-yl)methyl]acetamide; methyl sulfate Formula: C10H15ClN2O5S MolecularWeight: 310.7545

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=[N+](C=CC(=C1)Cl)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)NCC1=[N+](C=CC(=C1)Cl)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C9H11ClN2O.CH4O4S/c1-7(13)11-6-9-5-8(10)3-4-12(9)2;1-5-6(2,3)4/h3-5H,6H2,1-2H3;1H3,(H,2,3,4)