3-methyl-2-(2-methyloxolan-2-yl)-1,3-benzothiazol-3-ium

Systemtic Name: 3-methyl-2-(2-methyloxolan-2-yl)-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-(2-methyltetrahydrofuran-2-yl)-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-(2-methyl-2-oxolanyl)-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-(2-methyloxolan-2-yl)-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-(2-methyltetrahydrofuran-2-yl)-1,3-benzothiazol-3-ium Formula: C13H16NOS+ MolecularWeight: 234.33724

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCO1)C2=[N+](C3=CC=CC=C3S2)C

Isomeric SMILES

CC1(CCCO1)C2=[N+](C3=CC=CC=C3S2)C

InChI

InChI=1S/C13H16NOS/c1-13(8-5-9-15-13)12-14(2)10-6-3-4-7-11(10)16-12/h3-4,6-7H,5,8-9H2,1-2H3/q+1