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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2/c1-4-5-12(2)17-13(3)6-7-14-8-9-15-16(10-14)19-11-18-15/h8-10,12-13,17H,4-7,11H2,1-3H3/p+1/t12-,13+/m0/s1