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

Systemtic Name: [(2S)-2-(azaniumylmethyl)-3-(1,3-benzodioxol-5-yl)propyl]-diethyl-azanium Openeye Name: [(2S)-2-(azaniumylmethyl)-3-(1,3-benzodioxol-5-yl)propyl]-diethyl-ammonium CAS Name: [(2S)-2-(ammoniomethyl)-3-(1,3-benzodioxol-5-yl)propyl]-diethylammonium IUPAC Name: [(2S)-2-(azaniumylmethyl)-3-(1,3-benzodioxol-5-yl)propyl]-diethylazanium Traditional Name: [(2S)-2-(ammoniomethyl)-3-(1,3-benzodioxol-5-yl)propyl]-diethyl-ammonium Formula: C15H26N2O2+2 MolecularWeight: 266.37914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O2/c1-3-17(4-2)10-13(9-16)7-12-5-6-14-15(8-12)19-11-18-14/h5-6,8,13H,3-4,7,9-11,16H2,1-2H3/p+2/t13-/m0/s1