N,N-diethyl-2-[2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-benzimidazol-1-yl]ethanamine chloride

Systemtic Name: N,N-diethyl-2-[2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-benzimidazol-1-yl]ethanamine chloride Openeye Name: N,N-diethyl-2-[2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-benzimidazol-1-yl]ethanamine chloride CAS Name: N,N-diethyl-2-[2-[2-(4-morpholin-4-iumyl)ethyl]-5-nitro-1-benzimidazolyl]ethanamine chloride IUPAC Name: N,N-diethyl-2-[2-(2-morpholin-4-ium-4-ylethyl)-5-nitrobenzimidazol-1-yl]ethanamine chloride Traditional Name: diethyl-[2-[2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-benzimidazol-1-yl]ethyl]amine chloride Formula: C19H30ClN5O3 MolecularWeight: 411.9262

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC[NH+]3CCOCC3.[Cl-]

Isomeric SMILES

CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC[NH+]3CCOCC3.[Cl-]

InChI

InChI=1S/C19H29N5O3.ClH/c1-3-21(4-2)9-10-23-18-6-5-16(24(25)26)15-17(18)20-19(23)7-8-22-11-13-27-14-12-22;/h5-6,15H,3-4,7-14H2,1-2H3;1H