1-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[(1-methyl-5-nitro-2-benzimidazolyl)methyl]-1-piperazin-4-iumyl]-2-phenoxyethanone IUPAC Name: 1-[4-[(1-methyl-5-nitrobenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Formula: C21H24N5O4+ MolecularWeight: 410.44636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C[NH+]3CCN(CC3)C(=O)COC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C[NH+]3CCN(CC3)C(=O)COC4=CC=CC=C4

InChI

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