methyl (2S,3S)-2-phenyl-3-piperidin-1-ium-1-yl-3-pyridin-3-yl-propanoate

Systemtic Name: methyl (2S,3S)-2-phenyl-3-piperidin-1-ium-1-yl-3-pyridin-3-yl-propanoate Openeye Name: methyl (2S,3S)-2-phenyl-3-piperidin-1-ium-1-yl-3-(3-pyridyl)propanoate CAS Name: (2S,3S)-2-phenyl-3-(1-piperidin-1-iumyl)-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-phenyl-3-piperidin-1-ium-1-yl-3-pyridin-3-ylpropanoate Traditional Name: (2S,3S)-2-phenyl-3-piperidin-1-ium-1-yl-3-(3-pyridyl)propionic acid methyl ester Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)C(C2=CN=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1)[C@@H](C2=CN=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C20H24N2O2/c1-24-20(23)18(16-9-4-2-5-10-16)19(17-11-8-12-21-15-17)22-13-6-3-7-14-22/h2,4-5,8-12,15,18-19H,3,6-7,13-14H2,1H3/p+1/t18-,19+/m0/s1