3-[[2-(4-phenylbutyl)phenoxy]methyl]piperidin-1-ium chloride

Systemtic Name: 3-[[2-(4-phenylbutyl)phenoxy]methyl]piperidin-1-ium chloride Openeye Name: 3-[[2-(4-phenylbutyl)phenoxy]methyl]piperidin-1-ium chloride CAS Name: 3-[[2-(4-phenylbutyl)phenoxy]methyl]piperidin-1-ium chloride IUPAC Name: 3-[[2-(4-phenylbutyl)phenoxy]methyl]piperidin-1-ium chloride Traditional Name: 3-[[2-(4-phenylbutyl)phenoxy]methyl]piperidin-1-ium chloride Formula: C22H30ClNO MolecularWeight: 359.9327

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)COC2=CC=CC=C2CCCCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CC(C[NH2+]C1)COC2=CC=CC=C2CCCCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H29NO.ClH/c1-2-9-19(10-3-1)11-4-5-13-21-14-6-7-15-22(21)24-18-20-12-8-16-23-17-20;/h1-3,6-7,9-10,14-15,20,23H,4-5,8,11-13,16-18H2;1H