(3R)-1-[8-(diphenylamino)-8-oxidanylidene-octyl]piperidin-1-ium-3-carboxylic acid chloride

Systemtic Name: (3R)-1-[8-(diphenylamino)-8-oxidanylidene-octyl]piperidin-1-ium-3-carboxylic acid chloride Openeye Name: (3R)-1-[8-oxo-8-(N-phenylanilino)octyl]piperidin-1-ium-3-carboxylic acid chloride CAS Name: (3R)-1-[8-oxo-8-(N-phenylanilino)octyl]-3-piperidin-1-iumcarboxylic acid chloride IUPAC Name: (3R)-1-[8-oxo-8-(N-phenylanilino)octyl]piperidin-1-ium-3-carboxylic acid chloride Traditional Name: (3R)-1-[8-keto-8-(N-phenylanilino)octyl]piperidin-1-ium-3-carboxylic acid chloride Formula: C26H35ClN2O3 MolecularWeight: 459.0207

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCCCCCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O.[Cl-]

Isomeric SMILES

C1C[C@H](C[NH+](C1)CCCCCCCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O.[Cl-]

InChI

InChI=1S/C26H34N2O3.ClH/c29-25(28(23-14-6-4-7-15-23)24-16-8-5-9-17-24)18-10-2-1-3-11-19-27-20-12-13-22(21-27)26(30)31;/h4-9,14-17,22H,1-3,10-13,18-21H2,(H,30,31);1H/t22-;/m1./s1