[(1S)-1-[4-[(2S)-octan-2-yl]oxyphenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[4-[(2S)-octan-2-yl]oxyphenyl]ethyl]azanium Openeye Name: [(1S)-1-[4-[(1S)-1-methylheptoxy]phenyl]ethyl]ammonium CAS Name: [(1S)-1-[4-[(2S)-octan-2-yl]oxyphenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-[(2S)-octan-2-yl]oxyphenyl]ethyl]azanium Traditional Name: [(1S)-1-[4-[(1S)-1-methylheptoxy]phenyl]ethyl]ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC=C(C=C1)C(C)[NH3+]

Isomeric SMILES

CCCCCC[C@H](C)OC1=CC=C(C=C1)[C@H](C)[NH3+]

InChI

InChI=1S/C16H27NO/c1-4-5-6-7-8-13(2)18-16-11-9-15(10-12-16)14(3)17/h9-14H,4-8,17H2,1-3H3/p+1/t13-,14-/m0/s1