N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]-4-nitro-benzamide

Systemtic Name: N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]-4-nitro-benzamide Openeye Name: N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]-4-nitro-benzamide CAS Name: N-[1-methyl-2-[2-(4-morpholin-4-iumyl)ethyl]-5-benzimidazolyl]-4-nitrobenzamide IUPAC Name: N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]-4-nitrobenzamide Traditional Name: N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]-4-nitro-benzamide Formula: C21H24N5O4+ MolecularWeight: 410.44636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1CC[NH+]4CCOCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1CC[NH+]4CCOCC4

InChI

InChI=1S/C21H23N5O4/c1-24-19-7-4-16(22-21(27)15-2-5-17(6-3-15)26(28)29)14-18(19)23-20(24)8-9-25-10-12-30-13-11-25/h2-7,14H,8-13H2,1H3,(H,22,27)/p+1