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

Systemtic Name: 1-[(4-nitrophenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(4-nitrophenyl)methyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[(4-nitrophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(4-nitrobenzyl)-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C15H18N3O4S2+ MolecularWeight: 368.45112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C15H17N3O4S2/c19-18(20)14-5-3-13(4-6-14)12-16-7-9-17(10-8-16)24(21,22)15-2-1-11-23-15/h1-6,11H,7-10,12H2/p+1