2-(4-nitrophenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-nitrophenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-nitrophenyl)-1-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-nitrophenyl)-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-nitrophenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-nitrophenyl)-1-[4-(3-thenyl)piperazin-4-ium-1-yl]ethanone Formula: C17H20N3O3S+ MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3S/c21-17(11-14-1-3-16(4-2-14)20(22)23)19-8-6-18(7-9-19)12-15-5-10-24-13-15/h1-5,10,13H,6-9,11-12H2/p+1