(E)-3-(5-nitrofuran-2-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-nitrofuran-2-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-nitro-2-furyl)-1-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-nitro-2-furanyl)-1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(5-nitrofuran-2-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-nitro-2-furyl)-1-[4-(2-thenyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C16H18N3O4S+ MolecularWeight: 348.39682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O4S/c20-15(5-3-13-4-6-16(23-13)19(21)22)18-9-7-17(8-10-18)12-14-2-1-11-24-14/h1-6,11H,7-10,12H2/p+1/b5-3+