1-(4-nitrophenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-nitrophenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-nitrophenyl)-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-(4-nitrophenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-(4-nitrophenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(4-nitrophenyl)-4-(2-thenyl)piperazin-4-ium Formula: C15H18N3O2S+ MolecularWeight: 304.38732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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