[azanyl-[3-[[(2S)-octan-2-yl]oxymethyl]phenyl]methylidene]azanium

Systemtic Name: [azanyl-[3-[[(2S)-octan-2-yl]oxymethyl]phenyl]methylidene]azanium Openeye Name: [amino-[3-[[(1S)-1-methylheptoxy]methyl]phenyl]methylene]ammonium CAS Name: [amino-[3-[[(2S)-octan-2-yl]oxymethyl]phenyl]methylidene]ammonium IUPAC Name: [amino-[3-[[(2S)-octan-2-yl]oxymethyl]phenyl]methylidene]azanium Traditional Name: [amino-[3-[[(1S)-1-methylheptoxy]methyl]phenyl]methylene]ammonium Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OCC1=CC=CC(=C1)C(=[NH2+])N

Isomeric SMILES

CCCCCC[C@H](C)OCC1=CC=CC(=C1)C(=[NH2+])N

InChI

InChI=1S/C16H26N2O/c1-3-4-5-6-8-13(2)19-12-14-9-7-10-15(11-14)16(17)18/h7,9-11,13H,3-6,8,12H2,1-2H3,(H3,17,18)/p+1/t13-/m0/s1