1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium Openeye Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium Traditional Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-o-phenetyl-piperazin-1-ium Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C20H23BrN2O3/c1-2-24-18-6-4-3-5-17(18)23-9-7-22(8-10-23)13-15-11-19-20(12-16(15)21)26-14-25-19/h3-6,11-12H,2,7-10,13-14H2,1H3/p+1