5-bromanyl-2-(4-methylpiperazin-4-ium-1-yl)benzaldehyde

Systemtic Name: 5-bromanyl-2-(4-methylpiperazin-4-ium-1-yl)benzaldehyde Openeye Name: 5-bromo-2-(4-methylpiperazin-4-ium-1-yl)benzaldehyde CAS Name: 5-bromo-2-(4-methyl-1-piperazin-4-iumyl)benzaldehyde IUPAC Name: 5-bromo-2-(4-methylpiperazin-4-ium-1-yl)benzaldehyde Traditional Name: 5-bromo-2-(4-methylpiperazin-4-ium-1-yl)benzaldehyde Formula: C12H16BrN2O+ MolecularWeight: 284.17224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN2O/c1-14-4-6-15(7-5-14)12-3-2-11(13)8-10(12)9-16/h2-3,8-9H,4-7H2,1H3/p+1