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

Systemtic Name: 1-methyl-3-thiophen-2-yl-5,6,7,8-tetrahydroisochromen-2-ium Openeye Name: 1-methyl-3-(2-thienyl)-5,6,7,8-tetrahydroisochromen-2-ium CAS Name: 1-methyl-3-thiophen-2-yl-5,6,7,8-tetrahydro-2-benzopyran-2-ium IUPAC Name: 1-methyl-3-thiophen-2-yl-5,6,7,8-tetrahydroisochromen-2-ium Traditional Name: 1-methyl-3-(2-thienyl)-5,6,7,8-tetrahydroisochromen-2-ium Formula: C14H15OS+ MolecularWeight: 231.3333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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