ethyl (2S,3S,6R)-4-azanylidene-2,6-diphenyl-piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (2S,3S,6R)-4-azanylidene-2,6-diphenyl-piperidin-1-ium-3-carboxylate Openeye Name: ethyl (2S,3S,6R)-4-imino-2,6-diphenyl-piperidin-1-ium-3-carboxylate CAS Name: (2S,3S,6R)-4-imino-2,6-diphenyl-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S,6R)-4-imino-2,6-diphenylpiperidin-1-ium-3-carboxylate Traditional Name: (2S,3S,6R)-4-imino-2,6-diphenyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H23N2O2+ MolecularWeight: 323.40882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C([NH2+]C(CC1=N)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1[C@H]([NH2+][C@H](CC1=N)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O2/c1-2-24-20(23)18-16(21)13-17(14-9-5-3-6-10-14)22-19(18)15-11-7-4-8-12-15/h3-12,17-19,21-22H,2,13H2,1H3/p+1/t17-,18-,19-/m1/s1