[(1S)-2-azaniumyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-butyl-methyl-ammonium Formula: C15H26N2O2+2 MolecularWeight: 266.37914

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C[NH3+])C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCCC[NH+](C)[C@H](C[NH3+])C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C15H24N2O2/c1-3-4-7-17(2)13(11-16)12-5-6-14-15(10-12)19-9-8-18-14/h5-6,10,13H,3-4,7-9,11,16H2,1-2H3/p+2/t13-/m1/s1