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3-iodanylpropyl-dimethyl-[(4-sulfophenyl)methyl]azanium

3-iodanylpropyl-dimethyl-[(4-sulfophenyl)methyl]azanium

Systemtic Name:3-iodanylpropyl-dimethyl-[(4-sulfophenyl)methyl]azanium
Openeye Name:3-iodopropyl-dimethyl-[(4-sulfophenyl)methyl]ammonium
CAS Name:3-iodopropyl-dimethyl-[(4-sulfophenyl)methyl]ammonium
IUPAC Name:3-iodopropyl-dimethyl-[(4-sulfophenyl)methyl]azanium
Traditional Name:3-iodopropyl-dimethyl-(4-sulfobenzyl)ammonium
Formula: C12H19INO3S+
MolecularWeight: 384.25363
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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCI)CC1=CC=C(C=C1)S(=O)(=O)O


Isomeric SMILES

C[N+](C)(CCCI)CC1=CC=C(C=C1)S(=O)(=O)O


InChI

InChI=1S/C12H18INO3S/c1-14(2,9-3-8-13)10-11-4-6-12(7-5-11)18(15,16)17/h4-7H,3,8-10H2,1-2H3/p+1


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