4-(4-dodecyl-4-methyl-piperazin-4-ium-1-yl)benzaldehyde bromide

Systemtic Name: 4-(4-dodecyl-4-methyl-piperazin-4-ium-1-yl)benzaldehyde bromide Openeye Name: 4-(4-dodecyl-4-methyl-piperazin-4-ium-1-yl)benzaldehyde bromide CAS Name: 4-(4-dodecyl-4-methyl-1-piperazin-4-iumyl)benzaldehyde bromide IUPAC Name: 4-(4-dodecyl-4-methylpiperazin-4-ium-1-yl)benzaldehyde bromide Traditional Name: 4-(4-lauryl-4-methyl-piperazin-4-ium-1-yl)benzaldehyde bromide Formula: C24H41BrN2O MolecularWeight: 453.49914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H41N2O.BrH/c1-3-4-5-6-7-8-9-10-11-12-19-26(2)20-17-25(18-21-26)24-15-13-23(22-27)14-16-24;/h13-16,22H,3-12,17-21H2,1-2H3;1H/q+1;/p-1