(NE)-N-[[4-(4-dodecyl-4-methyl-piperazin-4-ium-1-yl)phenyl]methylidene]hydroxylamine bromide

Systemtic Name: (NE)-N-[[4-(4-dodecyl-4-methyl-piperazin-4-ium-1-yl)phenyl]methylidene]hydroxylamine bromide Openeye Name: (1E)-4-(4-dodecyl-4-methyl-piperazin-4-ium-1-yl)benzaldehyde oxime bromide CAS Name: (1E)-4-(4-dodecyl-4-methyl-1-piperazin-4-iumyl)benzaldehyde oxime bromide IUPAC Name: (NE)-N-[[4-(4-dodecyl-4-methylpiperazin-4-ium-1-yl)phenyl]methylidene]hydroxylamine bromide Traditional Name: (1E)-4-(4-lauryl-4-methyl-piperazin-4-ium-1-yl)benzaldoxime bromide Formula: C24H42BrN3O MolecularWeight: 468.51378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1(CCN(CC1)C2=CC=C(C=C2)C=NO)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1(CCN(CC1)C2=CC=C(C=C2)/C=N/O)C.[Br-]

InChI

InChI=1S/C24H41N3O.BrH/c1-3-4-5-6-7-8-9-10-11-12-19-27(2)20-17-26(18-21-27)24-15-13-23(14-16-24)22-25-28;/h13-16,22H,3-12,17-21H2,1-2H3;1H/b25-22+;