[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C16H26N2O2+2 MolecularWeight: 278.38984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)[NH2+]CCC[NH+]3CCCC3

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCO2)[NH2+]CCC[NH+]3CCCC3

InChI

InChI=1S/C16H24N2O2/c1-13(17-7-4-10-18-8-2-3-9-18)14-5-6-15-16(11-14)20-12-19-15/h5-6,11,13,17H,2-4,7-10,12H2,1H3/p+2/t13-/m0/s1