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

Systemtic Name: [4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(1-methyl-5-nitro-2-benzimidazolyl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(1-methyl-5-nitrobenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C18H20N5O3S+ MolecularWeight: 386.4481

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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=CS4

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C18H19N5O3S/c1-20-15-5-4-13(23(25)26)11-14(15)19-17(20)12-21-6-8-22(9-7-21)18(24)16-3-2-10-27-16/h2-5,10-11H,6-9,12H2,1H3/p+1