N,N-diethyl-2-[5-nitro-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanamine chloride

Systemtic Name: N,N-diethyl-2-[5-nitro-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanamine chloride Openeye Name: N,N-diethyl-2-[5-nitro-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanamine chloride CAS Name: N,N-diethyl-2-[5-nitro-2-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]ethanamine chloride IUPAC Name: N,N-diethyl-2-[5-nitro-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanamine chloride Traditional Name: diethyl-[2-[5-nitro-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethyl]amine chloride Formula: C20H32ClN5O2 MolecularWeight: 409.95338

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC[NH+]3CCCCC3.[Cl-]

Isomeric SMILES

CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC[NH+]3CCCCC3.[Cl-]

InChI

InChI=1S/C20H31N5O2.ClH/c1-3-22(4-2)14-15-24-19-9-8-17(25(26)27)16-18(19)21-20(24)10-13-23-11-6-5-7-12-23;/h8-9,16H,3-7,10-15H2,1-2H3;1H