[(1R,2S)-2-(3-propan-2-ylphenoxy)cycloheptyl]azanium

Systemtic Name: [(1R,2S)-2-(3-propan-2-ylphenoxy)cycloheptyl]azanium Openeye Name: [(1R,2S)-2-(3-isopropylphenoxy)cycloheptyl]ammonium CAS Name: [(1R,2S)-2-(3-propan-2-ylphenoxy)cycloheptyl]ammonium IUPAC Name: [(1R,2S)-2-(3-propan-2-ylphenoxy)cycloheptyl]azanium Traditional Name: [(1R,2S)-2-(3-isopropylphenoxy)cycloheptyl]ammonium Formula: C16H26NO+ MolecularWeight: 248.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OC2CCCCCC2[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO/c1-12(2)13-7-6-8-14(11-13)18-16-10-5-3-4-9-15(16)17/h6-8,11-12,15-16H,3-5,9-10,17H2,1-2H3/p+1/t15-,16+/m1/s1