2-[(2S)-1-[(6-azanyl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(6-azanyl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]-2-piperidin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-2-yl]ethanol Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CCO)CC2=C3C(=CC(=C2)N)COCO3

Isomeric SMILES

C1CC[NH+]([C@@H](C1)CCO)CC2=C3C(=CC(=C2)N)COCO3

InChI

InChI=1S/C16H24N2O3/c17-14-7-12(16-13(8-14)10-20-11-21-16)9-18-5-2-1-3-15(18)4-6-19/h7-8,15,19H,1-6,9-11,17H2/p+1/t15-/m0/s1