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

Systemtic Name: 2-[4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]phenol Formula: C19H22ClN2O3+ MolecularWeight: 361.84258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)Cl)COCO3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)Cl)COCO3)C4=CC=CC=C4O

InChI

InChI=1S/C19H21ClN2O3/c20-16-9-14(19-15(10-16)12-24-13-25-19)11-21-5-7-22(8-6-21)17-3-1-2-4-18(17)23/h1-4,9-10,23H,5-8,11-13H2/p+1