1-methyl-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-5-nitro-benzimidazole

Systemtic Name: 1-methyl-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-5-nitro-benzimidazole Openeye Name: 1-methyl-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-5-nitro-benzimidazole CAS Name: 1-methyl-2-[(4-methylsulfonyl-1-piperazin-1-iumyl)methyl]-5-nitrobenzimidazole IUPAC Name: 1-methyl-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-5-nitrobenzimidazole Traditional Name: 2-[(4-mesylpiperazin-1-ium-1-yl)methyl]-1-methyl-5-nitro-benzimidazole Formula: C14H20N5O4S+ MolecularWeight: 354.4047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5O4S/c1-16-13-4-3-11(19(20)21)9-12(13)15-14(16)10-17-5-7-18(8-6-17)24(2,22)23/h3-4,9H,5-8,10H2,1-2H3/p+1