N-(2-hydroxyphenyl)-1-[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(2-hydroxyphenyl)-1-[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2-benzylanilino)-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[2-oxo-2-[2-(phenylmethyl)anilino]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2-benzylanilino)-2-oxoethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(2-benzylanilino)-2-keto-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c31-25-13-7-6-12-24(25)29-27(33)21-14-16-30(17-15-21)19-26(32)28-23-11-5-4-10-22(23)18-20-8-2-1-3-9-20/h1-13,21,31H,14-19H2,(H,28,32)(H,29,33)/p+1