(4-methoxyphenyl)-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-methoxyphenyl)-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-methoxyphenyl)-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-methoxyphenyl)-[4-[(1-methyl-5-nitro-2-benzimidazolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methoxyphenyl)-[4-[(1-methyl-5-nitrobenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-methoxyphenyl)-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone 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)C4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-23-19-8-5-16(26(28)29)13-18(19)22-20(23)14-24-9-11-25(12-10-24)21(27)15-3-6-17(30-2)7-4-15/h3-8,13H,9-12,14H2,1-2H3/p+1