[4-(cyclopropylmethoxy)-3-methoxy-2-methyl-pyridin-1-ium-1-yl] ethanoate ethanoate

Systemtic Name: [4-(cyclopropylmethoxy)-3-methoxy-2-methyl-pyridin-1-ium-1-yl] ethanoate ethanoate Openeye Name: [4-(cyclopropylmethoxy)-3-methoxy-2-methyl-pyridin-1-ium-1-yl] acetate acetate CAS Name: acetic acid [4-(cyclopropylmethoxy)-3-methoxy-2-methyl-1-pyridin-1-iumyl] ester acetate IUPAC Name: [4-(cyclopropylmethoxy)-3-methoxy-2-methylpyridin-1-ium-1-yl] acetate acetate Traditional Name: acetic acid [4-(cyclopropylmethoxy)-3-methoxy-2-methyl-pyridin-1-ium-1-yl] ester acetate Formula: C15H21NO6 MolecularWeight: 311.33034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC(=C1OC)OCC2CC2)OC(=O)C.CC(=O)[O-]

Isomeric SMILES

CC1=[N+](C=CC(=C1OC)OCC2CC2)OC(=O)C.CC(=O)[O-]

InChI

InChI=1S/C13H18NO4.C2H4O2/c1-9-13(16-3)12(17-8-11-4-5-11)6-7-14(9)18-10(2)15;1-2(3)4/h6-7,11H,4-5,8H2,1-3H3;1H3,(H,3,4)/q+1;/p-1