1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-1-ium-1-yl-ethanol chloride

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-1-ium-1-yl-ethanol chloride Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-1-ium-1-yl-ethanol chloride CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-piperidin-1-iumyl)ethanol chloride IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-1-ium-1-ylethanol chloride Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-1-ium-1-yl-ethanol chloride Formula: C16H24ClNO3 MolecularWeight: 313.81966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(C2=CC3=C(C=C2)OCCCO3)O.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC(C2=CC3=C(C=C2)OCCCO3)O.[Cl-]

InChI

InChI=1S/C16H23NO3.ClH/c18-14(12-17-7-2-1-3-8-17)13-5-6-15-16(11-13)20-10-4-9-19-15;/h5-6,11,14,18H,1-4,7-10,12H2;1H