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

Systemtic Name: N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[1-methyl-2-(1-pyrrolidin-1-iumylmethyl)-5-benzimidazolyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Formula: C21H24N5O4+ MolecularWeight: 410.44636

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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+]4CCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])N=C1C[NH+]4CCCC4

InChI

InChI=1S/C21H23N5O4/c1-24-19-9-4-15(12-18(19)23-20(24)13-25-10-2-3-11-25)22-21(27)14-30-17-7-5-16(6-8-17)26(28)29/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,22,27)/p+1