2-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-4-ium-1-yl]phenol Formula: C20H24ClN2O3+ MolecularWeight: 375.86916

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4O)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4O)Cl)OC1

InChI

InChI=1S/C20H23ClN2O3/c21-16-12-15(13-19-20(16)26-11-3-10-25-19)14-22-6-8-23(9-7-22)17-4-1-2-5-18(17)24/h1-2,4-5,12-13,24H,3,6-11,14H2/p+1