1-[1-(5-nitro-1-benzothiophen-3-yl)piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-[1-(5-nitro-1-benzothiophen-3-yl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: 1-[1-(5-nitrobenzothiophen-3-yl)piperazin-1-ium-1-yl]propan-1-one CAS Name: 1-[1-(5-nitro-1-benzothiophen-3-yl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: 1-[1-(5-nitro-1-benzothiophen-3-yl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: 1-[1-(5-nitrobenzothiophen-3-yl)piperazin-1-ium-1-yl]propan-1-one Formula: C15H18N3O3S+ MolecularWeight: 320.38672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[N+]1(CCNCC1)C2=CSC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)[N+]1(CCNCC1)C2=CSC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N3O3S/c1-2-15(19)18(7-5-16-6-8-18)13-10-22-14-4-3-11(17(20)21)9-12(13)14/h3-4,9-10,16H,2,5-8H2,1H3/q+1