[2-[(2S)-octan-2-yl]oxyphenyl]methylazanium

Systemtic Name: [2-[(2S)-octan-2-yl]oxyphenyl]methylazanium Openeye Name: [2-[(1S)-1-methylheptoxy]phenyl]methylammonium CAS Name: [2-[(2S)-octan-2-yl]oxyphenyl]methylammonium IUPAC Name: [2-[(2S)-octan-2-yl]oxyphenyl]methylazanium Traditional Name: [2-[(1S)-1-methylheptoxy]benzyl]ammonium Formula: C15H26NO+ MolecularWeight: 236.37304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC=CC=C1C[NH3+]

Isomeric SMILES

CCCCCC[C@H](C)OC1=CC=CC=C1C[NH3+]

InChI

InChI=1S/C15H25NO/c1-3-4-5-6-9-13(2)17-15-11-8-7-10-14(15)12-16/h7-8,10-11,13H,3-6,9,12,16H2,1-2H3/p+1/t13-/m0/s1