1-[(1S)-2-oxidanidyl-2-oxidanylidene-1-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(1S)-2-oxidanidyl-2-oxidanylidene-1-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1S)-1-(5-benzyloxy-1H-indol-3-yl)-2-oxido-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1S)-2-oxido-2-oxo-1-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(1S)-2-oxido-2-oxo-1-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-1-(5-benzoxy-1H-indol-3-yl)-2-keto-2-oxido-ethyl]piperidin-1-ium-4-carboxylate Formula: C23H23N2O5- MolecularWeight: 407.43912

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])[C@@H](C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C23H24N2O5/c26-22(27)16-8-10-25(11-9-16)21(23(28)29)19-13-24-20-7-6-17(12-18(19)20)30-14-15-4-2-1-3-5-15/h1-7,12-13,16,21,24H,8-11,14H2,(H,26,27)(H,28,29)/p-1/t21-/m0/s1