[(2S)-2-(azaniumylmethyl)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]-diethyl-azanium

Systemtic Name: [(2S)-2-(azaniumylmethyl)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]-diethyl-azanium Openeye Name: [(2S)-2-(azaniumylmethyl)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]-diethyl-ammonium CAS Name: [(2S)-2-(ammoniomethyl)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-diethylammonium IUPAC Name: [(2S)-2-(azaniumylmethyl)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-diethylazanium Traditional Name: [(2S)-2-(ammoniomethyl)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]-diethyl-ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(C)(CC1=CC2=C(C=C1)OCO2)C[NH3+]

Isomeric SMILES

CC[NH+](CC)C[C@@](C)(CC1=CC2=C(C=C1)OCO2)C[NH3+]

InChI

InChI=1S/C16H26N2O2/c1-4-18(5-2)11-16(3,10-17)9-13-6-7-14-15(8-13)20-12-19-14/h6-8H,4-5,9-12,17H2,1-3H3/p+2/t16-/m0/s1