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

Systemtic Name: methyl 2-[1-[(1S)-1-phenylethyl]-2,3,4,5-tetrahydropyridin-1-ium-6-yl]propanoate Openeye Name: methyl 2-[1-[(1S)-1-phenylethyl]-2,3,4,5-tetrahydropyridin-1-ium-6-yl]propanoate CAS Name: 2-[1-[(1S)-1-phenylethyl]-2,3,4,5-tetrahydropyridin-1-ium-6-yl]propanoic acid methyl ester IUPAC Name: methyl 2-[1-[(1S)-1-phenylethyl]-2,3,4,5-tetrahydropyridin-1-ium-6-yl]propanoate Traditional Name: 2-[1-[(1S)-1-phenylethyl]-2,3,4,5-tetrahydropyridin-1-ium-6-yl]propionic acid methyl ester Formula: C17H24NO2+ MolecularWeight: 274.37796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=[N+](CCCC1)C(C)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H24NO2/c1-13(17(19)20-3)16-11-7-8-12-18(16)14(2)15-9-5-4-6-10-15/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3/q+1/t13?,14-/m0/s1