1-[(R)-cyano-(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(R)-cyano-(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(R)-cyano-(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(R)-cyano-(2-ethoxyphenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(R)-cyano-(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(R)-cyano(o-phenetyl)methyl]piperidin-1-ium-4-carboxylate Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C#N)[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1[C@H](C#N)[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C16H20N2O3/c1-2-21-15-6-4-3-5-13(15)14(11-17)18-9-7-12(8-10-18)16(19)20/h3-6,12,14H,2,7-10H2,1H3,(H,19,20)/t14-/m0/s1