1-(3-nitrophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(3-nitrophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(3-nitrophenyl)sulfonyl-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-(3-nitrophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-(3-nitrophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(3-nitrophenyl)sulfonyl-4-(2-thenyl)piperazin-4-ium Formula: C15H18N3O4S2+ MolecularWeight: 368.45112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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