(2S)-1-(1,3-benzodioxol-5-yloxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-(4-methyl-1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Formula: C16H24NO4+ MolecularWeight: 294.36606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(COC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CC1CC[NH+](CC1)C[C@@H](COC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C16H23NO4/c1-12-4-6-17(7-5-12)9-13(18)10-19-14-2-3-15-16(8-14)21-11-20-15/h2-3,8,12-13,18H,4-7,9-11H2,1H3/p+1/t13-/m0/s1