[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(2S)-6-methylheptan-2-yl]azanium

Systemtic Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(2S)-6-methylheptan-2-yl]azanium Openeye Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(1S)-1,5-dimethylhexyl]ammonium CAS Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(2S)-6-methylheptan-2-yl]ammonium IUPAC Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(2S)-6-methylheptan-2-yl]azanium Traditional Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(1S)-1,5-dimethylhexyl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)[NH2+]C(C)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-12(2)6-5-7-13(3)18-14(4)15-8-9-16-17(10-15)20-11-19-16/h8-10,12-14,18H,5-7,11H2,1-4H3/p+1/t13-,14+/m0/s1