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

Systemtic Name: 1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C20H23BrN2O3/c1-24-17-4-2-16(3-5-17)23-8-6-22(7-9-23)14-15-12-19-20(13-18(15)21)26-11-10-25-19/h2-5,12-13H,6-11,14H2,1H3/p+1