2-[(5-bromanyl-4-phenoxy-thiophen-2-yl)methyl]-3aH-isoindol-2-ium

Systemtic Name: 2-[(5-bromanyl-4-phenoxy-thiophen-2-yl)methyl]-3aH-isoindol-2-ium Openeye Name: 2-[(5-bromo-4-phenoxy-2-thienyl)methyl]-3aH-isoindol-2-ium CAS Name: 2-[(5-bromo-4-phenoxy-2-thiophenyl)methyl]-3aH-isoindol-2-ium IUPAC Name: 2-[(5-bromo-4-phenoxythiophen-2-yl)methyl]-3aH-isoindol-2-ium Traditional Name: 2-[(5-bromo-4-phenoxy-2-thienyl)methyl]-3aH-isoindol-2-ium Formula: C19H15BrNOS+ MolecularWeight: 385.2975

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(SC(=C2)C[N+]3=CC4C=CC=CC4=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(SC(=C2)C[N+]3=CC4C=CC=CC4=C3)Br

InChI

InChI=1S/C19H15BrNOS/c20-19-18(22-16-8-2-1-3-9-16)10-17(23-19)13-21-11-14-6-4-5-7-15(14)12-21/h1-12,14H,13H2/q+1