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

Systemtic Name: 1-[(R)-cyano-(4-dimethylaminophenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(R)-cyano-(4-dimethylaminophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(R)-cyano-(4-dimethylaminophenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(R)-cyano-(4-dimethylaminophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(R)-cyano-(4-dimethylaminophenyl)methyl]piperidin-1-ium-4-carboxylate Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-18(2)14-5-3-12(4-6-14)15(11-17)19-9-7-13(8-10-19)16(20)21/h3-6,13,15H,7-10H2,1-2H3,(H,20,21)/t15-/m0/s1