(3S)-1-(2-carbazol-9-yl-2-oxidanylidene-ethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-(2-carbazol-9-yl-2-oxidanylidene-ethyl)piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-(2-carbazol-9-yl-2-oxo-ethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(9-carbazolyl)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-(2-carbazol-9-yl-2-oxoethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(2-carbazol-9-yl-2-keto-ethyl)piperidin-1-ium-3-carboxylate Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)N2C3=CC=CC=C3C4=CC=CC=C42)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)N2C3=CC=CC=C3C4=CC=CC=C42)C(=O)[O-]

InChI

InChI=1S/C20H20N2O3/c23-19(13-21-11-5-6-14(12-21)20(24)25)22-17-9-3-1-7-15(17)16-8-2-4-10-18(16)22/h1-4,7-10,14H,5-6,11-13H2,(H,24,25)/t14-/m0/s1