(4-dodecyl-4-methyl-piperazin-4-ium-1-yl)-phenyl-methanone bromide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H41N2O.BrH/c1-3-4-5-6-7-8-9-10-11-15-20-26(2)21-18-25(19-22-26)24(27)23-16-13-12-14-17-23;/h12-14,16-17H,3-11,15,18-22H2,1-2H3;1H/q+1;/p-1