2-(azonan-1-ium-1-yl)propyl 2-oxidanyl-2,2-diphenyl-ethanoate chloride

Systemtic Name: 2-(azonan-1-ium-1-yl)propyl 2-oxidanyl-2,2-diphenyl-ethanoate chloride Openeye Name: 2-(azonan-1-ium-1-yl)propyl 2-hydroxy-2,2-diphenyl-acetate chloride CAS Name: 2-hydroxy-2,2-diphenylacetic acid 2-(1-azonan-1-iumyl)propyl ester chloride IUPAC Name: 2-(azonan-1-ium-1-yl)propyl 2-hydroxy-2,2-diphenylacetate chloride Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid 2-(azonan-1-ium-1-yl)propyl ester chloride Formula: C25H34ClNO3 MolecularWeight: 431.99536

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)[NH+]3CCCCCCCC3.[Cl-]

Isomeric SMILES

CC(COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)[NH+]3CCCCCCCC3.[Cl-]

InChI

InChI=1S/C25H33NO3.ClH/c1-21(26-18-12-4-2-3-5-13-19-26)20-29-24(27)25(28,22-14-8-6-9-15-22)23-16-10-7-11-17-23;/h6-11,14-17,21,28H,2-5,12-13,18-20H2,1H3;1H