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

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methyl-piperazin-4-ium CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methylpiperazin-4-ium Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methyl-piperazin-4-ium Formula: C15H22ClN2O2+ MolecularWeight: 297.80038

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C15H21ClN2O2/c1-17-3-5-18(6-4-17)11-12-9-13(16)15-14(10-12)19-7-2-8-20-15/h9-10H,2-8,11H2,1H3/p+1