(2,2-dimethyloxan-4-yl)-phenethyl-(phenylmethyl)azanium chloride

Systemtic Name: (2,2-dimethyloxan-4-yl)-phenethyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-(2,2-dimethyltetrahydropyran-4-yl)-phenethyl-ammonium chloride CAS Name: (2,2-dimethyl-4-oxanyl)-phenethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(2,2-dimethyloxan-4-yl)-phenethylazanium chloride Traditional Name: benzyl-(2,2-dimethyltetrahydropyran-4-yl)-phenethyl-ammonium chloride Formula: C22H30ClNO MolecularWeight: 359.9327

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)C.[Cl-]

Isomeric SMILES

CC1(CC(CCO1)[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)C.[Cl-]

InChI

InChI=1S/C22H29NO.ClH/c1-22(2)17-21(14-16-24-22)23(18-20-11-7-4-8-12-20)15-13-19-9-5-3-6-10-19;/h3-12,21H,13-18H2,1-2H3;1H