4-bromanyl-3-methoxy-1-methyl-5-(3-propoxyphenyl)pyridin-1-ium; hydron; sulfate

Systemtic Name: 4-bromanyl-3-methoxy-1-methyl-5-(3-propoxyphenyl)pyridin-1-ium; hydron; sulfate Openeye Name: 4-bromo-3-methoxy-1-methyl-5-(3-propoxyphenyl)pyridin-1-ium; hydron; sulfate CAS Name: 4-bromo-3-methoxy-1-methyl-5-(3-propoxyphenyl)pyridin-1-ium; hydron; sulfate IUPAC Name: 4-bromo-3-methoxy-1-methyl-5-(3-propoxyphenyl)pyridin-1-ium; hydron; sulfate Traditional Name: 4-bromo-3-methoxy-1-methyl-5-(3-propoxyphenyl)pyridin-1-ium; hydron; sulfate Formula: C16H20BrNO6S MolecularWeight: 434.3021

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCCOC1=CC=CC(=C1)C2=C[N+](=CC(=C2Br)OC)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

[H+].CCCOC1=CC=CC(=C1)C2=C[N+](=CC(=C2Br)OC)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C16H19BrNO2.H2O4S/c1-4-8-20-13-7-5-6-12(9-13)14-10-18(2)11-15(19-3)16(14)17;1-5(2,3)4/h5-7,9-11H,4,8H2,1-3H3;(H2,1,2,3,4)/q+1;/p-1