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

Systemtic Name: 1-[(R)-cyano-(2-methylphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(R)-cyano(o-tolyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(R)-cyano-(2-methylphenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(R)-cyano-(2-methylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(R)-cyano(o-tolyl)methyl]piperidin-1-ium-4-carboxylate Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C#N)[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1[C@H](C#N)[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C15H18N2O2/c1-11-4-2-3-5-13(11)14(10-16)17-8-6-12(7-9-17)15(18)19/h2-5,12,14H,6-9H2,1H3,(H,18,19)/t14-/m0/s1