2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1,4-dimethylpentyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(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+]CC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

C[C@@H](CCC(C)C)[NH2+]CC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C16H25NO2/c1-12(2)4-5-13(3)17-11-14-6-7-15-16(10-14)19-9-8-18-15/h6-7,10,12-13,17H,4-5,8-9,11H2,1-3H3/p+1/t13-/m0/s1