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

Systemtic Name: cyclohexyl-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: cyclohexyl-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: cyclohexyl-[4-[(1-methyl-5-nitro-2-benzimidazolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: cyclohexyl-[4-[(1-methyl-5-nitrobenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: cyclohexyl-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C20H28N5O3+ MolecularWeight: 386.46802

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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)C4CCCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C[NH+]3CCN(CC3)C(=O)C4CCCCC4

InChI

InChI=1S/C20H27N5O3/c1-22-18-8-7-16(25(27)28)13-17(18)21-19(22)14-23-9-11-24(12-10-23)20(26)15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12,14H2,1H3/p+1