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

Systemtic Name: 4-[[4-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]methyl]benzonitrile Formula: C21H23BrN3O2+ MolecularWeight: 429.33022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2Br)OCCO3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2Br)OCCO3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H22BrN3O2/c22-19-12-21-20(26-9-10-27-21)11-18(19)15-25-7-5-24(6-8-25)14-17-3-1-16(13-23)2-4-17/h1-4,11-12H,5-10,14-15H2/p+1