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

Systemtic Name: 2-azaniumylethyl-[(2S)-butan-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azanium Openeye Name: 2-azaniumylethyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-[(1S)-1-methylpropyl]ammonium CAS Name: 2-ammonioethyl-[(2S)-butan-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ammonium IUPAC Name: 2-azaniumylethyl-[(2S)-butan-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azanium Traditional Name: 2-ammonioethyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-[(1S)-1-methylpropyl]ammonium Formula: C15H26N2O2+2 MolecularWeight: 266.37914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+](CC[NH3+])CC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC[C@H](C)[NH+](CC[NH3+])CC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C15H24N2O2/c1-3-12(2)17(7-6-16)11-13-4-5-14-15(10-13)19-9-8-18-14/h4-5,10,12H,3,6-9,11,16H2,1-2H3/p+2/t12-/m0/s1