[3-[[(2S)-octan-2-yl]oxymethyl]phenyl]methylazanium

Systemtic Name: [3-[[(2S)-octan-2-yl]oxymethyl]phenyl]methylazanium Openeye Name: [3-[[(1S)-1-methylheptoxy]methyl]phenyl]methylammonium CAS Name: [3-[[(2S)-octan-2-yl]oxymethyl]phenyl]methylammonium IUPAC Name: [3-[[(2S)-octan-2-yl]oxymethyl]phenyl]methylazanium Traditional Name: [3-[[(1S)-1-methylheptoxy]methyl]benzyl]ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OCC1=CC=CC(=C1)C[NH3+]

Isomeric SMILES

CCCCCC[C@H](C)OCC1=CC=CC(=C1)C[NH3+]

InChI

InChI=1S/C16H27NO/c1-3-4-5-6-8-14(2)18-13-16-10-7-9-15(11-16)12-17/h7,9-11,14H,3-6,8,12-13,17H2,1-2H3/p+1/t14-/m0/s1