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

Systemtic Name: 3-bromanyl-5-(4-methylpiperazin-4-ium-1-yl)benzaldehyde Openeye Name: 3-bromo-5-(4-methylpiperazin-4-ium-1-yl)benzaldehyde CAS Name: 3-bromo-5-(4-methyl-1-piperazin-4-iumyl)benzaldehyde IUPAC Name: 3-bromo-5-(4-methylpiperazin-4-ium-1-yl)benzaldehyde Traditional Name: 3-bromo-5-(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=CC(=CC(=C2)C=O)Br

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN2O/c1-14-2-4-15(5-3-14)12-7-10(9-16)6-11(13)8-12/h6-9H,2-5H2,1H3/p+1