(2S)-1-(azepan-1-ium-1-yl)-3-(1,3-benzodioxol-5-yloxy)propan-2-ol

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-(1,3-benzodioxol-5-yloxy)propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-(1,3-benzodioxol-5-yloxy)propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-(1,3-benzodioxol-5-yloxy)-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-(1,3-benzodioxol-5-yloxy)propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-(1,3-benzodioxol-5-yloxy)propan-2-ol Formula: C16H24NO4+ MolecularWeight: 294.36606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(COC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](COC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C16H23NO4/c18-13(10-17-7-3-1-2-4-8-17)11-19-14-5-6-15-16(9-14)21-12-20-15/h5-6,9,13,18H,1-4,7-8,10-12H2/p+1/t13-/m0/s1