[(2S)-2-(azaniumylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-diethyl-azanium

Systemtic Name: [(2S)-2-(azaniumylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-diethyl-azanium Openeye Name: [(2S)-2-(azaniumylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-diethyl-ammonium CAS Name: [(2S)-2-(ammoniomethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-diethylammonium IUPAC Name: [(2S)-2-(azaniumylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-diethylazanium Traditional Name: [(2S)-2-(ammoniomethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-diethyl-ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2/c1-4-19(5-2)13-17(3,12-18)11-14-6-7-15-16(10-14)21-9-8-20-15/h6-7,10H,4-5,8-9,11-13,18H2,1-3H3/p+2/t17-/m0/s1