2-[2-[(4-chlorophenyl)methyl]-5-nitro-benzimidazol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-[(4-chlorophenyl)methyl]-5-nitro-benzimidazol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-[(4-chlorophenyl)methyl]-5-nitro-benzimidazol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-[(4-chlorophenyl)methyl]-5-nitro-1-benzimidazolyl]ethyl-diethylammonium IUPAC Name: 2-[2-[(4-chlorophenyl)methyl]-5-nitrobenzimidazol-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-(4-chlorobenzyl)-5-nitro-benzimidazol-1-yl]ethyl-diethyl-ammonium Formula: C20H24ClN4O2+ MolecularWeight: 387.88316

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC[NH+](CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN4O2/c1-3-23(4-2)11-12-24-19-10-9-17(25(26)27)14-18(19)22-20(24)13-15-5-7-16(21)8-6-15/h5-10,14H,3-4,11-13H2,1-2H3/p+1