3-ethyl-5-methoxy-2-[(Z)-(4-methyl-8aH-chromen-3-ylidene)methyl]-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-ethyl-5-methoxy-2-[(Z)-(4-methyl-8aH-chromen-3-ylidene)methyl]-1,3-benzothiazol-3-ium iodide Openeye Name: 3-ethyl-5-methoxy-2-[(Z)-(4-methyl-8aH-chromen-3-ylidene)methyl]-1,3-benzothiazol-3-ium iodide CAS Name: 3-ethyl-5-methoxy-2-[(Z)-(4-methyl-8aH-1-benzopyran-3-ylidene)methyl]-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-ethyl-5-methoxy-2-[(Z)-(4-methyl-8aH-chromen-3-ylidene)methyl]-1,3-benzothiazol-3-ium iodide Traditional Name: 3-ethyl-5-methoxy-2-[(Z)-(4-methyl-8aH-chromen-3-ylidene)methyl]-1,3-benzothiazol-3-ium iodide Formula: C21H22INO2S MolecularWeight: 479.37435

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)OC)C=C3COC4C=CC=CC4=C3C.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)OC)/C=C/3\COC4C=CC=CC4=C3C.[I-]

InChI

InChI=1S/C21H22NO2S.HI/c1-4-22-18-12-16(23-3)9-10-20(18)25-21(22)11-15-13-24-19-8-6-5-7-17(19)14(15)2;/h5-12,19H,4,13H2,1-3H3;1H/q+1;/p-1/b15-11+;