1,3-benzodioxol-5-ylmethyl-[(2S)-octan-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-octan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-methylheptyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-octan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-octan-2-yl]azanium Traditional Name: [(1S)-1-methylheptyl]-piperonyl-ammonium Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)[NH2+]CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCCC[C@H](C)[NH2+]CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H25NO2/c1-3-4-5-6-7-13(2)17-11-14-8-9-15-16(10-14)19-12-18-15/h8-10,13,17H,3-7,11-12H2,1-2H3/p+1/t13-/m0/s1