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

Systemtic Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(1S)-1,4-dimethylpentyl]ammonium CAS Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[(1S)-1,4-dimethylpentyl]ammonium Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2/c1-11(2)5-6-12(3)17-13(4)14-7-8-15-16(9-14)19-10-18-15/h7-9,11-13,17H,5-6,10H2,1-4H3/p+1/t12-,13+/m0/s1