methyl 2-[1-[(1S)-1-phenylethyl]-2,3,4,5-tetrahydropyridin-1-ium-6-yl]ethanoate chloride

Systemtic Name: methyl 2-[1-[(1S)-1-phenylethyl]-2,3,4,5-tetrahydropyridin-1-ium-6-yl]ethanoate chloride Openeye Name: methyl 2-[1-[(1S)-1-phenylethyl]-2,3,4,5-tetrahydropyridin-1-ium-6-yl]acetate chloride CAS Name: 2-[1-[(1S)-1-phenylethyl]-2,3,4,5-tetrahydropyridin-1-ium-6-yl]acetic acid methyl ester chloride IUPAC Name: methyl 2-[1-[(1S)-1-phenylethyl]-2,3,4,5-tetrahydropyridin-1-ium-6-yl]acetate chloride Traditional Name: 2-[1-[(1S)-1-phenylethyl]-2,3,4,5-tetrahydropyridin-1-ium-6-yl]acetic acid methyl ester chloride Formula: C16H22ClNO2 MolecularWeight: 295.80438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[N+]2=C(CCCC2)CC(=O)OC.[Cl-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[N+]2=C(CCCC2)CC(=O)OC.[Cl-]

InChI

InChI=1S/C16H22NO2.ClH/c1-13(14-8-4-3-5-9-14)17-11-7-6-10-15(17)12-16(18)19-2;/h3-5,8-9,13H,6-7,10-12H2,1-2H3;1H/q+1;/p-1/t13-;/m0./s1