diethyl-methyl-[4-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]butyl]azanium iodide

Systemtic Name: diethyl-methyl-[4-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]butyl]azanium iodide Openeye Name: diethyl-methyl-[4-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]butyl]ammonium iodide CAS Name: diethyl-methyl-[4-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]butyl]ammonium iodide IUPAC Name: diethyl-methyl-[4-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]butyl]azanium iodide Traditional Name: diethyl-methyl-[4-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]butyl]ammonium iodide Formula: C17H27IN6O4 MolecularWeight: 506.33855

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCCCNC1=C(C=C2C(=C1[N+](=O)[O-])N=C(N2)C)[N+](=O)[O-].[I-]

Isomeric SMILES

CC[N+](C)(CC)CCCCNC1=C(C=C2C(=C1[N+](=O)[O-])N=C(N2)C)[N+](=O)[O-].[I-]

InChI

InChI=1S/C17H27N6O4.HI/c1-5-23(4,6-2)10-8-7-9-18-16-14(21(24)25)11-13-15(17(16)22(26)27)20-12(3)19-13;/h11,18H,5-10H2,1-4H3,(H,19,20);1H/q+1;/p-1