1-(4-nitrophenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-nitrophenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-nitrophenyl)-4-(3-thienylmethyl)piperazin-4-ium CAS Name: 1-(4-nitrophenyl)-4-(3-thiophenylmethyl)piperazin-4-ium IUPAC Name: 1-(4-nitrophenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(4-nitrophenyl)-4-(3-thenyl)piperazin-4-ium Formula: C15H18N3O2S+ MolecularWeight: 304.38732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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