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

Systemtic Name: 1-[(R)-cyano-(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(R)-cyano-(4-isopropylphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(R)-cyano-(4-propan-2-ylphenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(R)-cyano-(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(R)-cyano(p-cumenyl)methyl]piperidin-1-ium-4-carboxylate Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2/c1-12(2)13-3-5-14(6-4-13)16(11-18)19-9-7-15(8-10-19)17(20)21/h3-6,12,15-16H,7-10H2,1-2H3,(H,20,21)/t16-/m0/s1