1-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]piperazin-4-ium Openeye Name: 1-[[5-(2-nitrophenyl)-2-thienyl]methyl]piperazin-4-ium CAS Name: 1-[[5-(2-nitrophenyl)-2-thiophenyl]methyl]piperazin-4-ium IUPAC Name: 1-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]piperazin-4-ium Traditional Name: 1-[[5-(2-nitrophenyl)-2-thienyl]methyl]piperazin-4-ium Formula: C15H18N3O2S+ MolecularWeight: 304.38732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=CC=C(S2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=CC=C(S2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O2S/c19-18(20)14-4-2-1-3-13(14)15-6-5-12(21-15)11-17-9-7-16-8-10-17/h1-6,16H,7-11H2/p+1