6-bromanyl-2-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carbaldehyde

Systemtic Name: 6-bromanyl-2-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carbaldehyde Openeye Name: 6-bromo-2-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carbaldehyde CAS Name: 6-bromo-2-(4-methyl-1-piperazin-4-iumyl)-3-quinolinecarboxaldehyde IUPAC Name: 6-bromo-2-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carbaldehyde Traditional Name: 6-bromo-2-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carbaldehyde Formula: C15H17BrN3O+ MolecularWeight: 335.21898

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C3C=C(C=CC3=N2)Br)C=O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C3C=C(C=CC3=N2)Br)C=O

InChI

InChI=1S/C15H16BrN3O/c1-18-4-6-19(7-5-18)15-12(10-20)8-11-9-13(16)2-3-14(11)17-15/h2-3,8-10H,4-7H2,1H3/p+1