[4-(4-nitrophenyl)piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-(4-nitrophenyl)piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(4-nitrophenyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-(4-nitrophenyl)-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-(4-nitrophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(4-nitrophenyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C15H16N3O3S+ MolecularWeight: 318.37084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CS3

InChI

InChI=1S/C15H15N3O3S/c19-15(14-2-1-11-22-14)17-9-7-16(8-10-17)12-3-5-13(6-4-12)18(20)21/h1-6,11H,7-10H2/p+1