1-chloranyl-3-isoquinolin-2-ium-2-yl-propan-2-ol perchlorate

Systemtic Name: 1-chloranyl-3-isoquinolin-2-ium-2-yl-propan-2-ol perchlorate Openeye Name: 1-chloro-3-isoquinolin-2-ium-2-yl-propan-2-ol perchlorate CAS Name: 1-chloro-3-(2-isoquinolin-2-iumyl)-2-propanol perchlorate IUPAC Name: 1-chloro-3-isoquinolin-2-ium-2-ylpropan-2-ol perchlorate Traditional Name: 1-chloro-3-isoquinolin-2-ium-2-yl-propan-2-ol perchlorate Formula: C12H13Cl2NO5 MolecularWeight: 322.14132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(CCl)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(CCl)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H13ClNO.ClHO4/c13-7-12(15)9-14-6-5-10-3-1-2-4-11(10)8-14;2-1(3,4)5/h1-6,8,12,15H,7,9H2;(H,2,3,4,5)/q+1;/p-1