[(1R)-1-(1,3-benzodioxol-5-yl)-2-[(2S)-octan-2-yl]oxy-ethyl]azanium

Systemtic Name: [(1R)-1-(1,3-benzodioxol-5-yl)-2-[(2S)-octan-2-yl]oxy-ethyl]azanium Openeye Name: [(1R)-1-(1,3-benzodioxol-5-yl)-2-[(1S)-1-methylheptoxy]ethyl]ammonium CAS Name: [(1R)-1-(1,3-benzodioxol-5-yl)-2-[(2S)-octan-2-yl]oxyethyl]ammonium IUPAC Name: [(1R)-1-(1,3-benzodioxol-5-yl)-2-[(2S)-octan-2-yl]oxyethyl]azanium Traditional Name: [(1R)-1-(1,3-benzodioxol-5-yl)-2-[(1S)-1-methylheptoxy]ethyl]ammonium Formula: C17H28NO3+ MolecularWeight: 294.40912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OCC(C1=CC2=C(C=C1)OCO2)[NH3+]

Isomeric SMILES

CCCCCC[C@H](C)OC[C@@H](C1=CC2=C(C=C1)OCO2)[NH3+]

InChI

InChI=1S/C17H27NO3/c1-3-4-5-6-7-13(2)19-11-15(18)14-8-9-16-17(10-14)21-12-20-16/h8-10,13,15H,3-7,11-12,18H2,1-2H3/p+1/t13-,15-/m0/s1