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

Systemtic Name: 1-methyl-3-thiophen-2-yl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate Openeye Name: 1-methyl-3-(2-thienyl)-5,6,7,8-tetrahydroisochromen-2-ium perchlorate CAS Name: 1-methyl-3-thiophen-2-yl-5,6,7,8-tetrahydro-2-benzopyran-2-ium perchlorate IUPAC Name: 1-methyl-3-thiophen-2-yl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate Traditional Name: 1-methyl-3-(2-thienyl)-5,6,7,8-tetrahydroisochromen-2-ium perchlorate Formula: C14H15ClO5S MolecularWeight: 330.7839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=CC(=[O+]1)C3=CC=CS3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C2CCCCC2=CC(=[O+]1)C3=CC=CS3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H15OS.ClHO4/c1-10-12-6-3-2-5-11(12)9-13(15-10)14-7-4-8-16-14;2-1(3,4)5/h4,7-9H,2-3,5-6H2,1H3;(H,2,3,4,5)/q+1;/p-1