5-(5-azanyl-6-chloranyl-2,3-dihydro-1,4-benzodioxin-8-yl)-3-(1-phenethylpiperidin-1-ium-4-yl)-1,3,4-oxadiazol-2-one

Systemtic Name: 5-(5-azanyl-6-chloranyl-2,3-dihydro-1,4-benzodioxin-8-yl)-3-(1-phenethylpiperidin-1-ium-4-yl)-1,3,4-oxadiazol-2-one Openeye Name: 5-(5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-3-(1-phenethylpiperidin-1-ium-4-yl)-1,3,4-oxadiazol-2-one CAS Name: 5-(5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-3-(1-phenethyl-4-piperidin-1-iumyl)-1,3,4-oxadiazol-2-one IUPAC Name: 5-(5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-3-(1-phenethylpiperidin-1-ium-4-yl)-1,3,4-oxadiazol-2-one Traditional Name: 5-(5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-3-(1-phenethylpiperidin-1-ium-4-yl)-1,3,4-oxadiazol-2-one Formula: C23H26ClN4O4+ MolecularWeight: 457.92994

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=O)OC(=N2)C3=CC(=C(C4=C3OCCO4)N)Cl)CCC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1N2C(=O)OC(=N2)C3=CC(=C(C4=C3OCCO4)N)Cl)CCC5=CC=CC=C5

InChI

InChI=1S/C23H25ClN4O4/c24-18-14-17(20-21(19(18)25)31-13-12-30-20)22-26-28(23(29)32-22)16-7-10-27(11-8-16)9-6-15-4-2-1-3-5-15/h1-5,14,16H,6-13,25H2/p+1