aniline; methyl-sulfonyl-(3-sulfopropyl)azanium

Systemtic Name: aniline; methyl-sulfonyl-(3-sulfopropyl)azanium Openeye Name: aniline; methyl-sulfonyl-(3-sulfopropyl)ammonium CAS Name: aniline; methyl-sulfonyl-(3-sulfopropyl)ammonium IUPAC Name: aniline; methyl-sulfonyl-(3-sulfopropyl)azanium Traditional Name: methyl-sulfonyl-(3-sulfopropyl)ammonium; phenylamine Formula: C10H17N2O5S2+ MolecularWeight: 309.38238

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=S(=O)=O)CCCS(=O)(=O)O.C1=CC=C(C=C1)N

Isomeric SMILES

C[N+](=S(=O)=O)CCCS(=O)(=O)O.C1=CC=C(C=C1)N

InChI

InChI=1S/C6H7N.C4H9NO5S2/c7-6-4-2-1-3-5-6;1-5(11(6)7)3-2-4-12(8,9)10/h1-5H,7H2;2-4H2,1H3/p+1