N-(2-hydroxyphenyl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(2-hydroxyphenyl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[(1S)-2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C28H28N3O3+ MolecularWeight: 454.54022

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)C(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)[C@@H](C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C28H27N3O3/c32-25-13-7-6-12-24(25)30-28(34)20-14-16-31(17-15-20)26(19-8-2-1-3-9-19)27(33)22-18-29-23-11-5-4-10-21(22)23/h1-13,18,20,26,29,32H,14-17H2,(H,30,34)/p+1/t26-/m0/s1