3,4-bis(chloranyl)-N-methyl-N-pyridin-1-ium-1-yl-benzamide; methyl sulfate

Systemtic Name: 3,4-bis(chloranyl)-N-methyl-N-pyridin-1-ium-1-yl-benzamide; methyl sulfate Openeye Name: 3,4-dichloro-N-methyl-N-pyridin-1-ium-1-yl-benzamide; methyl sulfate CAS Name: 3,4-dichloro-N-methyl-N-(1-pyridin-1-iumyl)benzamide; methyl sulfate IUPAC Name: 3,4-dichloro-N-methyl-N-pyridin-1-ium-1-ylbenzamide; methyl sulfate Traditional Name: 3,4-dichloro-N-methyl-N-pyridin-1-ium-1-yl-benzamide; methyl sulfate Formula: C14H14Cl2N2O5S MolecularWeight: 393.24236

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC(=C(C=C1)Cl)Cl)[N+]2=CC=CC=C2.COS(=O)(=O)[O-]

Isomeric SMILES

CN(C(=O)C1=CC(=C(C=C1)Cl)Cl)[N+]2=CC=CC=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H11Cl2N2O.CH4O4S/c1-16(17-7-3-2-4-8-17)13(18)10-5-6-11(14)12(15)9-10;1-5-6(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)/q+1;/p-1