dodecyl-dimethyl-[(2,3,4,5,6-pentadeuteriophenyl)methyl]azanium bromide

Systemtic Name: dodecyl-dimethyl-[(2,3,4,5,6-pentadeuteriophenyl)methyl]azanium bromide Openeye Name: dodecyl-dimethyl-[(2,3,4,5,6-pentadeuteriophenyl)methyl]ammonium bromide CAS Name: dodecyl-dimethyl-[(2,3,4,5,6-pentadeuteriophenyl)methyl]ammonium bromide IUPAC Name: dodecyl-dimethyl-[(2,3,4,5,6-pentadeuteriophenyl)methyl]azanium bromide Traditional Name: lauryl-dimethyl-(2,3,4,5,6-pentadeuteriobenzyl)ammonium bromide Formula: C21H38BrN MolecularWeight: 389.467929

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C[N+](C)(C)CCCCCCCCCCCC)[2H])[2H].[Br-]

InChI

InChI=1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1/i13D,14D,15D,17D,18D;