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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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