methyl sulfate; N-(1,2,4,6-tetramethyl-5-nitro-pyridin-1-ium-3-yl)benzamide

Systemtic Name: methyl sulfate; N-(1,2,4,6-tetramethyl-5-nitro-pyridin-1-ium-3-yl)benzamide Openeye Name: methyl sulfate; N-(1,2,4,6-tetramethyl-5-nitro-pyridin-1-ium-3-yl)benzamide CAS Name: methyl sulfate; N-(1,2,4,6-tetramethyl-5-nitro-3-pyridin-1-iumyl)benzamide IUPAC Name: methyl sulfate; N-(1,2,4,6-tetramethyl-5-nitropyridin-1-ium-3-yl)benzamide Traditional Name: methyl sulfate; N-(1,2,4,6-tetramethyl-5-nitro-pyridin-1-ium-3-yl)benzamide Formula: C17H21N3O7S MolecularWeight: 411.42954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+](C(=C1[N+](=O)[O-])C)C)C)NC(=O)C2=CC=CC=C2.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=[N+](C(=C1[N+](=O)[O-])C)C)C)NC(=O)C2=CC=CC=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H17N3O3.CH4O4S/c1-10-14(17-16(20)13-8-6-5-7-9-13)11(2)18(4)12(3)15(10)19(21)22;1-5-6(2,3)4/h5-9H,1-4H3;1H3,(H,2,3,4)