methyl 3-pyridin-1-ium-1-ylpropane-1-sulfonate perchlorate

Systemtic Name: methyl 3-pyridin-1-ium-1-ylpropane-1-sulfonate perchlorate Openeye Name: methyl 3-pyridin-1-ium-1-ylpropane-1-sulfonate perchlorate CAS Name: 3-(1-pyridin-1-iumyl)-1-propanesulfonic acid perchlorate IUPAC Name: methyl 3-pyridin-1-ium-1-ylpropane-1-sulfonate perchlorate Traditional Name: 3-pyridin-1-ium-1-ylpropane-1-sulfonic acid methyl ester perchlorate Formula: C9H14ClNO7S MolecularWeight: 315.72796

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)CCC[N+]1=CC=CC=C1.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COS(=O)(=O)CCC[N+]1=CC=CC=C1.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C9H14NO3S.ClHO4/c1-13-14(11,12)9-5-8-10-6-3-2-4-7-10;2-1(3,4)5/h2-4,6-7H,5,8-9H2,1H3;(H,2,3,4,5)/q+1;/p-1