4-methoxy-1-prop-2-enyl-2,3-dihydropyridin-1-ium; methyl sulfate

Systemtic Name: 4-methoxy-1-prop-2-enyl-2,3-dihydropyridin-1-ium; methyl sulfate Openeye Name: 1-allyl-4-methoxy-2,3-dihydropyridin-1-ium; methyl sulfate CAS Name: 4-methoxy-1-prop-2-enyl-2,3-dihydropyridin-1-ium; methyl sulfate IUPAC Name: 4-methoxy-1-prop-2-enyl-2,3-dihydropyridin-1-ium; methyl sulfate Traditional Name: 1-allyl-4-methoxy-2,3-dihydropyridin-1-ium; methyl sulfate Formula: C10H17NO5S MolecularWeight: 263.31068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=[N+](CC1)CC=C.COS(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=[N+](CC1)CC=C.COS(=O)(=O)[O-]

InChI

InChI=1S/C9H14NO.CH4O4S/c1-3-6-10-7-4-9(11-2)5-8-10;1-5-6(2,3)4/h3-4,7H,1,5-6,8H2,2H3;1H3,(H,2,3,4)/q+1;/p-1