phenyl-[3-(piperidin-1-ium-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride

Systemtic Name: phenyl-[3-(piperidin-1-ium-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride Openeye Name: phenyl-[3-(piperidin-1-ium-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride CAS Name: phenyl-[3-(1-piperidin-1-iumylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride IUPAC Name: phenyl-[3-(piperidin-1-ium-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride Traditional Name: phenyl-[3-(piperidin-1-ium-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride Formula: C21H24ClNO3 MolecularWeight: 373.87316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2COC3=C(O2)C=C(C=C3)C(=O)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC2COC3=C(O2)C=C(C=C3)C(=O)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H23NO3.ClH/c23-21(16-7-3-1-4-8-16)17-9-10-19-20(13-17)25-18(15-24-19)14-22-11-5-2-6-12-22;/h1,3-4,7-10,13,18H,2,5-6,11-12,14-15H2;1H