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

Systemtic Name: (2,2-dimethyloxan-4-yl)-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-(2,2-dimethyltetrahydropyran-4-yl)-phenethyl-ammonium CAS Name: (2,2-dimethyl-4-oxanyl)-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-(2,2-dimethyloxan-4-yl)-phenethylazanium Traditional Name: benzyl-(2,2-dimethyltetrahydropyran-4-yl)-phenethyl-ammonium Formula: C22H30NO+ MolecularWeight: 324.4797

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO/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/p+1