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

Systemtic Name: N-(2-hydroxyphenyl)-1-[(2S)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[(1S)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[(1S)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4O

Isomeric SMILES

C[C@@H](C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4O

InChI

InChI=1S/C23H25N3O3/c1-15(22(28)18-14-24-19-7-3-2-6-17(18)19)26-12-10-16(11-13-26)23(29)25-20-8-4-5-9-21(20)27/h2-9,14-16,24,27H,10-13H2,1H3,(H,25,29)/p+1/t15-/m0/s1