N-[1-methyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[1-methyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[1-methyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[1-methyl-2-(4-morpholin-4-iumylmethyl)-5-benzimidazolyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[1-methyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[1-methyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Formula: C21H24N5O5+ MolecularWeight: 426.44576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])N=C1C[NH+]4CCOCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])N=C1C[NH+]4CCOCC4

InChI

InChI=1S/C21H23N5O5/c1-24-19-7-2-15(12-18(19)23-20(24)13-25-8-10-30-11-9-25)22-21(27)14-31-17-5-3-16(4-6-17)26(28)29/h2-7,12H,8-11,13-14H2,1H3,(H,22,27)/p+1