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ethanedioate; methyl 3-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate

ethanedioate; methyl 3-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate

Systemtic Name:ethanedioate; methyl 3-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate
Openeye Name:methyl 3-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate; oxalate
CAS Name:3-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid methyl ester; oxalate
IUPAC Name:methyl 3-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate; oxalate
Traditional Name:3-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid methyl ester; oxalate
Formula: C18H28N2O8
MolecularWeight: 400.42352
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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]CC(=C1)C(=O)OC.CC1C[NH2+]CC(=C1)C(=O)OC.C(=O)(C(=O)[O-])[O-]


Isomeric SMILES

CC1C[NH2+]CC(=C1)C(=O)OC.CC1C[NH2+]CC(=C1)C(=O)OC.C(=O)(C(=O)[O-])[O-]


InChI

InChI=1S/2C8H13NO2.C2H2O4/c2*1-6-3-7(5-9-4-6)8(10)11-2;3-1(4)2(5)6/h2*3,6,9H,4-5H2,1-2H3;(H,3,4)(H,5,6)


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