methyl (3S)-4-azanylidene-1-(phenylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: methyl (3S)-4-azanylidene-1-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: methyl (3S)-1-benzyl-4-imino-piperidin-1-ium-3-carboxylate CAS Name: (3S)-4-imino-1-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (3S)-1-benzyl-4-iminopiperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-benzyl-4-imino-piperidin-1-ium-3-carboxylic acid methyl ester Formula: C14H19N2O2+ MolecularWeight: 247.31286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[NH+](CCC1=N)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H]1C[NH+](CCC1=N)CC2=CC=CC=C2

InChI

InChI=1S/C14H18N2O2/c1-18-14(17)12-10-16(8-7-13(12)15)9-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3/p+1/t12-/m0/s1