[(1R,2S)-2-[4-(2-methylbutan-2-yl)phenoxy]cycloheptyl]azanium

Systemtic Name: [(1R,2S)-2-[4-(2-methylbutan-2-yl)phenoxy]cycloheptyl]azanium Openeye Name: [(1R,2S)-2-[4-(1,1-dimethylpropyl)phenoxy]cycloheptyl]ammonium CAS Name: [(1R,2S)-2-[4-(2-methylbutan-2-yl)phenoxy]cycloheptyl]ammonium IUPAC Name: [(1R,2S)-2-[4-(2-methylbutan-2-yl)phenoxy]cycloheptyl]azanium Traditional Name: [(1R,2S)-2-(4-tert-amylphenoxy)cycloheptyl]ammonium Formula: C18H30NO+ MolecularWeight: 276.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO/c1-4-18(2,3)14-10-12-15(13-11-14)20-17-9-7-5-6-8-16(17)19/h10-13,16-17H,4-9,19H2,1-3H3/p+1/t16-,17+/m1/s1