1-[(R)-cyano-(3-methylphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(R)-cyano-(3-methylphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(R)-cyano(m-tolyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(R)-cyano-(3-methylphenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(R)-cyano-(3-methylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(R)-cyano(m-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=C1)C(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/c1-11-3-2-4-13(9-11)14(10-16)17-7-5-12(6-8-17)15(18)19/h2-4,9,12,14H,5-8H2,1H3,(H,18,19)/t14-/m0/s1