methyl 2-(5-but-3-enyl-6-methyl-1-oxidanidyl-2,3,4,5-tetrahydropyridin-1-ium-2-yl)ethanoate

Systemtic Name: methyl 2-(5-but-3-enyl-6-methyl-1-oxidanidyl-2,3,4,5-tetrahydropyridin-1-ium-2-yl)ethanoate Openeye Name: methyl 2-(5-but-3-enyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-2-yl)acetate CAS Name: 2-(5-but-3-enyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-2-yl)acetic acid methyl ester IUPAC Name: methyl 2-(5-but-3-enyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-2-yl)acetate Traditional Name: 2-(5-but-3-enyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-2-yl)acetic acid methyl ester Formula: C13H21NO3 MolecularWeight: 239.31074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(CCC1CCC=C)CC(=O)OC)[O-]

Isomeric SMILES

CC1=[N+](C(CCC1CCC=C)CC(=O)OC)[O-]

InChI

InChI=1S/C13H21NO3/c1-4-5-6-11-7-8-12(9-13(15)17-3)14(16)10(11)2/h4,11-12H,1,5-9H2,2-3H3