1-(3-chloranylpropyl)-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate

Systemtic Name: 1-(3-chloranylpropyl)-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate Openeye Name: 1-(3-chloropropyl)-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate CAS Name: 1-(3-chloropropyl)-3-phenyl-5,6,7,8-tetrahydro-2-benzopyran-2-ium perchlorate IUPAC Name: 1-(3-chloropropyl)-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate Traditional Name: 1-(3-chloropropyl)-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate Formula: C18H20Cl2O5 MolecularWeight: 387.2544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([O+]=C(C=C2C1)C3=CC=CC=C3)CCCCl.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1CCC2=C([O+]=C(C=C2C1)C3=CC=CC=C3)CCCCl.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H20ClO.ClHO4/c19-12-6-11-17-16-10-5-4-9-15(16)13-18(20-17)14-7-2-1-3-8-14;2-1(3,4)5/h1-3,7-8,13H,4-6,9-12H2;(H,2,3,4,5)/q+1;/p-1