4-[(2-bromophenyl)methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[(2-bromophenyl)methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(2-bromophenyl)methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(2-bromophenyl)methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(2-bromophenyl)methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-(2-bromobenzyl)piperazin-4-ium-1-carbaldehyde Formula: C12H16BrN2O+ MolecularWeight: 284.17224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN2O/c13-12-4-2-1-3-11(12)9-14-5-7-15(10-16)8-6-14/h1-4,10H,5-9H2/p+1