[(1R,2S)-2-(2,3,5-trimethylphenoxy)cycloheptyl]azanium

Systemtic Name: [(1R,2S)-2-(2,3,5-trimethylphenoxy)cycloheptyl]azanium Openeye Name: [(1R,2S)-2-(2,3,5-trimethylphenoxy)cycloheptyl]ammonium CAS Name: [(1R,2S)-2-(2,3,5-trimethylphenoxy)cycloheptyl]ammonium IUPAC Name: [(1R,2S)-2-(2,3,5-trimethylphenoxy)cycloheptyl]azanium Traditional Name: [(1R,2S)-2-(2,3,5-trimethylphenoxy)cycloheptyl]ammonium Formula: C16H26NO+ MolecularWeight: 248.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2CCCCCC2[NH3+])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)O[C@H]2CCCCC[C@H]2[NH3+])C)C

InChI

InChI=1S/C16H25NO/c1-11-9-12(2)13(3)16(10-11)18-15-8-6-4-5-7-14(15)17/h9-10,14-15H,4-8,17H2,1-3H3/p+1/t14-,15+/m1/s1