methyl hydrogen sulfate; 1-methyl-2-[(1E)-3-phenylbuta-1,3-dienyl]pyridin-1-ium

Systemtic Name: methyl hydrogen sulfate; 1-methyl-2-[(1E)-3-phenylbuta-1,3-dienyl]pyridin-1-ium Openeye Name: methyl hydrogen sulfate; 1-methyl-2-[(1E)-3-phenylbuta-1,3-dienyl]pyridin-1-ium CAS Name: 1-methyl-2-[(1E)-3-phenylbuta-1,3-dienyl]pyridin-1-ium; sulfuric acid methyl ester IUPAC Name: methyl hydrogen sulfate; 1-methyl-2-[(1E)-3-phenylbuta-1,3-dienyl]pyridin-1-ium Traditional Name: 1-methyl-2-[(1E)-3-phenylbuta-1,3-dienyl]pyridin-1-ium; sulfuric acid methyl ester Formula: C17H20NO4S+ MolecularWeight: 334.41

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=CC(=C)C2=CC=CC=C2.COS(=O)(=O)O

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C/C(=C)C2=CC=CC=C2.COS(=O)(=O)O

InChI

InChI=1S/C16H16N.CH4O4S/c1-14(15-8-4-3-5-9-15)11-12-16-10-6-7-13-17(16)2;1-5-6(2,3)4/h3-13H,1H2,2H3;1H3,(H,2,3,4)/q+1;/b12-11+;