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

Systemtic Name: [(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C17H28N2O2+2 MolecularWeight: 292.41642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)[NH2+]CCC[NH+]3CCCCC3

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCO2)[NH2+]CCC[NH+]3CCCCC3

InChI

InChI=1S/C17H26N2O2/c1-14(15-6-7-16-17(12-15)21-13-20-16)18-8-5-11-19-9-3-2-4-10-19/h6-7,12,14,18H,2-5,8-11,13H2,1H3/p+2/t14-/m0/s1