[(2S)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-[(2S)-3-methylbutan-2-yl]azanium

Systemtic Name: [(2S)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-[(2S)-3-methylbutan-2-yl]azanium Openeye Name: [(1S)-3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-[(1S)-1,2-dimethylpropyl]ammonium CAS Name: [(2S)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-[(2S)-3-methylbutan-2-yl]ammonium IUPAC Name: [(2S)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-[(2S)-3-methylbutan-2-yl]azanium Traditional Name: [(1S)-3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-[(1S)-1,2-dimethylpropyl]ammonium Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)[NH2+]C(C)CCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

C[C@@H](CCC1=CC2=C(C=C1)OCO2)[NH2+][C@@H](C)C(C)C

InChI

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