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

Systemtic Name: [4-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C20H22BrN2O3+ MolecularWeight: 418.30428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O3/c21-17-13-19-18(25-10-11-26-19)12-16(17)14-22-6-8-23(9-7-22)20(24)15-4-2-1-3-5-15/h1-5,12-13H,6-11,14H2/p+1