1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium Openeye Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(2-pyridylmethyl)piperazin-4-ium CAS Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(2-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium Traditional Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(2-pyridylmethyl)piperazin-4-ium Formula: C19H23BrN3O2+ MolecularWeight: 405.30882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)CC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)CC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C19H22BrN3O2/c20-17-12-19-18(24-9-10-25-19)11-15(17)13-22-5-7-23(8-6-22)14-16-3-1-2-4-21-16/h1-4,11-12H,5-10,13-14H2/p+1