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

Systemtic Name: [(1S)-2-azaniumyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-bis(2-methylpropyl)azanium Openeye Name: [(1S)-2-azaniumyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-diisobutyl-ammonium CAS Name: [(1S)-2-ammonio-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-bis(2-methylpropyl)ammonium IUPAC Name: [(1S)-2-azaniumyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-bis(2-methylpropyl)azanium Traditional Name: [(1S)-2-ammonio-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-diisobutyl-ammonium Formula: C18H32N2O2+2 MolecularWeight: 308.45888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O2/c1-13(2)11-20(12-14(3)4)16(10-19)15-5-6-17-18(9-15)22-8-7-21-17/h5-6,9,13-14,16H,7-8,10-12,19H2,1-4H3/p+2/t16-/m1/s1