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

Systemtic Name: 1-methyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate Openeye Name: 1-methyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate CAS Name: 1-methyl-3-phenyl-5,6,7,8-tetrahydro-2-benzopyran-2-ium perchlorate IUPAC Name: 1-methyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate Traditional Name: 1-methyl-3-phenyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate Formula: C16H17ClO5 MolecularWeight: 324.75618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=CC(=[O+]1)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C2CCCCC2=CC(=[O+]1)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H17O.ClHO4/c1-12-15-10-6-5-9-14(15)11-16(17-12)13-7-3-2-4-8-13;2-1(3,4)5/h2-4,7-8,11H,5-6,9-10H2,1H3;(H,2,3,4,5)/q+1;/p-1