[(1R,2S)-2-(2-propan-2-ylphenoxy)cycloheptyl]azanium

Systemtic Name: [(1R,2S)-2-(2-propan-2-ylphenoxy)cycloheptyl]azanium Openeye Name: [(1R,2S)-2-(2-isopropylphenoxy)cycloheptyl]ammonium CAS Name: [(1R,2S)-2-(2-propan-2-ylphenoxy)cycloheptyl]ammonium IUPAC Name: [(1R,2S)-2-(2-propan-2-ylphenoxy)cycloheptyl]azanium Traditional Name: [(1R,2S)-2-(2-isopropylphenoxy)cycloheptyl]ammonium Formula: C16H26NO+ MolecularWeight: 248.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OC2CCCCCC2[NH3+]

Isomeric SMILES

CC(C)C1=CC=CC=C1O[C@H]2CCCCC[C@H]2[NH3+]

InChI

InChI=1S/C16H25NO/c1-12(2)13-8-6-7-10-15(13)18-16-11-5-3-4-9-14(16)17/h6-8,10,12,14,16H,3-5,9,11,17H2,1-2H3/p+1/t14-,16+/m1/s1