(3S,4S)-3-phenyl-1-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: (3S,4S)-3-phenyl-1-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: (3S,4S)-1-benzyl-3-phenyl-piperidin-1-ium-4-carboxylate CAS Name: (3S,4S)-3-phenyl-1-(phenylmethyl)-4-piperidin-1-iumcarboxylate IUPAC Name: (3S,4S)-1-benzyl-3-phenylpiperidin-1-ium-4-carboxylate Traditional Name: (3S,4S)-1-benzyl-3-phenyl-piperidin-1-ium-4-carboxylate Formula: C19H21NO2 MolecularWeight: 295.37554

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1C(=O)[O-])C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](C[C@@H]([C@H]1C(=O)[O-])C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H21NO2/c21-19(22)17-11-12-20(13-15-7-3-1-4-8-15)14-18(17)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,21,22)/t17-,18+/m0/s1