2-[4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]ethylazanium

Systemtic Name: 2-[4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]ethylazanium Openeye Name: 2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]ethylammonium CAS Name: 2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-1-piperazin-4-iumyl]ethylammonium IUPAC Name: 2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]ethylazanium Traditional Name: 2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]ethylammonium Formula: C15H24ClN3O2+2 MolecularWeight: 313.82296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)Cl)COCO3)CC[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)Cl)COCO3)CC[NH3+]

InChI

InChI=1S/C15H22ClN3O2/c16-14-7-12(15-13(8-14)10-20-11-21-15)9-19-5-3-18(2-1-17)4-6-19/h7-8H,1-6,9-11,17H2/p+2