1-[(4-nitrophenyl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(4-nitrophenyl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(4-nitrophenyl)methyl]-4-(2-thienylmethyl)piperazine-1,4-diium CAS Name: 1-[(4-nitrophenyl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(4-nitrobenzyl)-4-(2-thenyl)piperazine-1,4-diium Formula: C16H21N3O2S+2 MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CS3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CS3

InChI

InChI=1S/C16H19N3O2S/c20-19(21)15-5-3-14(4-6-15)12-17-7-9-18(10-8-17)13-16-2-1-11-22-16/h1-6,11H,7-10,12-13H2/p+2