N-(2-nitro-3-phenyl-1-benzofuran-7-yl)methanamide; trimethyl(propyl)azanium; iodide

Systemtic Name: N-(2-nitro-3-phenyl-1-benzofuran-7-yl)methanamide; trimethyl(propyl)azanium; iodide Openeye Name: N-(2-nitro-3-phenyl-benzofuran-7-yl)formamide; trimethyl(propyl)ammonium; iodide CAS Name: N-(2-nitro-3-phenyl-7-benzofuranyl)formamide; trimethyl(propyl)ammonium; iodide IUPAC Name: N-(2-nitro-3-phenyl-1-benzofuran-7-yl)formamide; trimethyl(propyl)azanium; iodide Traditional Name: N-(2-nitro-3-phenyl-benzofuran-7-yl)formamide; trimethyl(propyl)ammonium; iodide Formula: C21H26IN3O4 MolecularWeight: 511.35331

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C)C.C1=CC=C(C=C1)C2=C(OC3=C2C=CC=C3NC=O)[N+](=O)[O-].[I-]

Isomeric SMILES

CCC[N+](C)(C)C.C1=CC=C(C=C1)C2=C(OC3=C2C=CC=C3NC=O)[N+](=O)[O-].[I-]

InChI

InChI=1S/C15H10N2O4.C6H16N.HI/c18-9-16-12-8-4-7-11-13(10-5-2-1-3-6-10)15(17(19)20)21-14(11)12;1-5-6-7(2,3)4;/h1-9H,(H,16,18);5-6H2,1-4H3;1H/q;+1;/p-1