(2S)-2-(1,3-benzodioxol-5-yl)-1,3-oxazonan-3-ium

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-1,3-oxazonan-3-ium Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-1,3-oxazonan-3-ium CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-1,3-oxazonan-3-ium IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-1,3-oxazonan-3-ium Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-1,3-oxazonan-3-ium Formula: C14H20NO3+ MolecularWeight: 250.3135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCOC([NH2+]CC1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCCO[C@H]([NH2+]CC1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H19NO3/c1-2-4-8-16-14(15-7-3-1)11-5-6-12-13(9-11)18-10-17-12/h5-6,9,14-15H,1-4,7-8,10H2/p+1/t14-/m0/s1