5-bromanyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzaldehyde

Systemtic Name: 5-bromanyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzaldehyde Openeye Name: 5-bromo-2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzaldehyde CAS Name: 5-bromo-2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzaldehyde IUPAC Name: 5-bromo-2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzaldehyde Traditional Name: 5-bromo-2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzaldehyde Formula: C13H18BrN2O+ MolecularWeight: 298.19882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2O/c1-15-5-2-6-16(8-7-15)13-4-3-12(14)9-11(13)10-17/h3-4,9-10H,2,5-8H2,1H3/p+1