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

Systemtic Name: 1-(2-nitrophenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(2-nitrophenyl)sulfonyl-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-(2-nitrophenyl)sulfonyl-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(2-nitrophenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(2-nitrophenyl)sulfonyl-4-(3-pyridylmethyl)piperazin-4-ium Formula: C16H19N4O4S+ MolecularWeight: 363.41146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4S/c21-20(22)15-5-1-2-6-16(15)25(23,24)19-10-8-18(9-11-19)13-14-4-3-7-17-12-14/h1-7,12H,8-11,13H2/p+1