3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-1-one

Systemtic Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-1-one Openeye Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-(2-thienyl)propan-1-one CAS Name: 3-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-1-thiophen-2-yl-1-propanone IUPAC Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-ylpropan-1-one Traditional Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-(2-thienyl)propan-1-one Formula: C17H20N3O3S+ MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)C2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)C2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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