2-ethyl-1-pentyl-3-[(1R)-1-phenylethyl]imidazol-1-ium bromide

Systemtic Name: 2-ethyl-1-pentyl-3-[(1R)-1-phenylethyl]imidazol-1-ium bromide Openeye Name: 2-ethyl-1-pentyl-3-[(1R)-1-phenylethyl]imidazol-1-ium bromide CAS Name: 2-ethyl-1-pentyl-3-[(1R)-1-phenylethyl]imidazol-1-ium bromide IUPAC Name: 2-ethyl-1-pentyl-3-[(1R)-1-phenylethyl]imidazol-1-ium bromide Traditional Name: 1-amyl-2-ethyl-3-[(1R)-1-phenylethyl]imidazol-1-ium bromide Formula: C18H27BrN2 MolecularWeight: 351.32438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1=C(N(C=C1)C(C)C2=CC=CC=C2)CC.[Br-]

Isomeric SMILES

CCCCC[N+]1=C(N(C=C1)[C@H](C)C2=CC=CC=C2)CC.[Br-]

InChI

InChI=1S/C18H27N2.BrH/c1-4-6-10-13-19-14-15-20(18(19)5-2)16(3)17-11-8-7-9-12-17;/h7-9,11-12,14-16H,4-6,10,13H2,1-3H3;1H/q+1;/p-1/t16-;/m1./s1