[4-[4-fluoranyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[4-fluoranyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[4-fluoro-5-(4-methyl-1-piperazin-4-iumyl)-2-nitrophenyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazino]-(2-thienyl)methanone Formula: C20H25FN5O3S+ MolecularWeight: 434.507603

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C4=CC=CS4)[N+](=O)[O-])F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C4=CC=CS4)[N+](=O)[O-])F

InChI

InChI=1S/C20H24FN5O3S/c1-22-4-6-23(7-5-22)16-14-17(18(26(28)29)13-15(16)21)24-8-10-25(11-9-24)20(27)19-3-2-12-30-19/h2-3,12-14H,4-11H2,1H3/p+1