2-[2-[4-(diethylamino)phenyl]-3-methyl-imidazol-3-ium-1-yl]ethanal; hydrogen sulfite; bromide

Systemtic Name: 2-[2-[4-(diethylamino)phenyl]-3-methyl-imidazol-3-ium-1-yl]ethanal; hydrogen sulfite; bromide Openeye Name: 2-[2-[4-(diethylamino)phenyl]-3-methyl-imidazol-3-ium-1-yl]acetaldehyde; hydrogen sulfite; bromide CAS Name: 2-[2-[4-(diethylamino)phenyl]-3-methyl-1-imidazol-3-iumyl]acetaldehyde; hydrogen sulfite; bromide IUPAC Name: 2-[2-[4-(diethylamino)phenyl]-3-methylimidazol-3-ium-1-yl]acetaldehyde; hydrogen sulfite; bromide Traditional Name: 2-[2-[4-(diethylamino)phenyl]-3-methyl-imidazol-3-ium-1-yl]acetaldehyde bisulfite bromide Formula: C32H45BrN6O5S MolecularWeight: 705.7059

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=[N+](C=CN2CC=O)C.CCN(CC)C1=CC=C(C=C1)C2=[N+](C=CN2CC=O)C.OS(=O)[O-].[Br-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=[N+](C=CN2CC=O)C.CCN(CC)C1=CC=C(C=C1)C2=[N+](C=CN2CC=O)C.OS(=O)[O-].[Br-]

InChI

InChI=1S/2C16H22N3O.BrH.H2O3S/c2*1-4-18(5-2)15-8-6-14(7-9-15)16-17(3)10-11-19(16)12-13-20;;1-4(2)3/h2*6-11,13H,4-5,12H2,1-3H3;1H;(H2,1,2,3)/q2*+1;;/p-2