aniline; 1-pyridin-2-yl-4-sulfonyl-piperazin-4-ium

Systemtic Name: aniline; 1-pyridin-2-yl-4-sulfonyl-piperazin-4-ium Openeye Name: aniline; 1-(2-pyridyl)-4-sulfonyl-piperazin-4-ium CAS Name: aniline; 1-(2-pyridinyl)-4-sulfonylpiperazin-4-ium IUPAC Name: aniline; 1-pyridin-2-yl-4-sulfonylpiperazin-4-ium Traditional Name: phenylamine; 1-(2-pyridyl)-4-sulfonyl-piperazin-4-ium Formula: C15H19N4O2S+ MolecularWeight: 319.40196

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=S(=O)=O)CCN1C2=CC=CC=N2.C1=CC=C(C=C1)N

Isomeric SMILES

C1C[N+](=S(=O)=O)CCN1C2=CC=CC=N2.C1=CC=C(C=C1)N

InChI

InChI=1S/C9H12N3O2S.C6H7N/c13-15(14)12-7-5-11(6-8-12)9-3-1-2-4-10-9;7-6-4-2-1-3-5-6/h1-4H,5-8H2;1-5H,7H2/q+1;