2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(3-phenyl-5-isoxazolyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C24H25N2O4+ MolecularWeight: 405.4663

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC(=NO4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC(=NO4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N2O4/c27-24(19-6-7-22-23(14-19)29-13-12-28-22)18-8-10-26(11-9-18)16-20-15-21(25-30-20)17-4-2-1-3-5-17/h1-7,14-15,18H,8-13,16H2/p+1