1-[4-ethyl-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]tetradecan-1-one bromide

Systemtic Name: 1-[4-ethyl-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]tetradecan-1-one bromide Openeye Name: 1-[4-ethyl-4-(m-tolylmethyl)piperazin-4-ium-1-yl]tetradecan-1-one bromide CAS Name: 1-[4-ethyl-4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-tetradecanone bromide IUPAC Name: 1-[4-ethyl-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]tetradecan-1-one bromide Traditional Name: 1-[4-ethyl-4-(3-methylbenzyl)piperazin-4-ium-1-yl]tetradecan-1-one bromide Formula: C28H49BrN2O MolecularWeight: 509.60546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(CC)CC2=CC=CC(=C2)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(CC)CC2=CC=CC(=C2)C.[Br-]

InChI

InChI=1S/C28H49N2O.BrH/c1-4-6-7-8-9-10-11-12-13-14-15-19-28(31)29-20-22-30(5-2,23-21-29)25-27-18-16-17-26(3)24-27;/h16-18,24H,4-15,19-23,25H2,1-3H3;1H/q+1;/p-1