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ethyl (3S)-1-methyl-3-[(2-methylphenyl)methyl]piperidin-1-ium-3-carboxylate

ethyl (3S)-1-methyl-3-[(2-methylphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name:ethyl (3S)-1-methyl-3-[(2-methylphenyl)methyl]piperidin-1-ium-3-carboxylate
Openeye Name:ethyl (3S)-1-methyl-3-(o-tolylmethyl)piperidin-1-ium-3-carboxylate
CAS Name:(3S)-1-methyl-3-[(2-methylphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester
IUPAC Name:ethyl (3S)-1-methyl-3-[(2-methylphenyl)methyl]piperidin-1-ium-3-carboxylate
Traditional Name:(3S)-1-methyl-3-(2-methylbenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester
Formula: C17H26NO2+
MolecularWeight: 276.39384
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)C)CC2=CC=CC=C2C


Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)C)CC2=CC=CC=C2C


InChI

InChI=1S/C17H25NO2/c1-4-20-16(19)17(10-7-11-18(3)13-17)12-15-9-6-5-8-14(15)2/h5-6,8-9H,4,7,10-13H2,1-3H3/p+1/t17-/m0/s1


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