1-ethyl-4-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(3-propoxyphenyl)pyridin-1-ium nitrate

Systemtic Name: 1-ethyl-4-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(3-propoxyphenyl)pyridin-1-ium nitrate Openeye Name: 3-tert-butoxy-1-ethyl-4-methoxy-5-(3-propoxyphenyl)pyridin-1-ium nitrate CAS Name: 1-ethyl-4-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(3-propoxyphenyl)pyridin-1-ium nitrate IUPAC Name: 1-ethyl-4-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(3-propoxyphenyl)pyridin-1-ium nitrate Traditional Name: 3-tert-butoxy-1-ethyl-4-methoxy-5-(3-propoxyphenyl)pyridin-1-ium nitrate Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=C[N+](=CC(=C2OC)OC(C)(C)C)CC.[N+](=O)([O-])[O-]

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=C[N+](=CC(=C2OC)OC(C)(C)C)CC.[N+](=O)([O-])[O-]

InChI

InChI=1S/C21H30NO3.NO3/c1-7-12-24-17-11-9-10-16(13-17)18-14-22(8-2)15-19(20(18)23-6)25-21(3,4)5;2-1(3)4/h9-11,13-15H,7-8,12H2,1-6H3;/q+1;-1