(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-[4-(2-thenyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C20H22N3O5S+ MolecularWeight: 416.47078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C=CC3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)/C=C/C3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c24-19(22-7-5-21(6-8-22)12-18-2-1-9-29-18)4-3-15-10-17(23(25)26)11-16-13-27-14-28-20(15)16/h1-4,9-11H,5-8,12-14H2/p+1/b4-3+