1-ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate

Systemtic Name: 1-ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate Openeye Name: 1-ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate CAS Name: 1-ethyl-3-phenyl-5,6,7,8-tetrahydro-2-benzopyran-2-ium perchlorate IUPAC Name: 1-ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate Traditional Name: 1-ethyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate Formula: C17H19ClO5 MolecularWeight: 338.78276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=CC(=[O+]1)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC1=C2CCCCC2=CC(=[O+]1)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C17H19O.ClHO4/c1-2-16-15-11-7-6-10-14(15)12-17(18-16)13-8-4-3-5-9-13;2-1(3,4)5/h3-5,8-9,12H,2,6-7,10-11H2,1H3;(H,2,3,4,5)/q+1;/p-1