2-[(E)-(4-tert-butyl-6-methyl-pyran-2-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium; perchloric acid

Systemtic Name: 2-[(E)-(4-tert-butyl-6-methyl-pyran-2-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium; perchloric acid Openeye Name: 2-[(E)-(4-tert-butyl-6-methyl-pyran-2-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium; perchloric acid CAS Name: 2-[(E)-(4-tert-butyl-6-methyl-2-pyranylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium; perchloric acid IUPAC Name: 2-[(E)-(4-tert-butyl-6-methylpyran-2-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium; perchloric acid Traditional Name: 2-[(E)-(4-tert-butyl-6-methyl-pyran-2-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium; perchloric acid Formula: C20H25ClNO5S+ MolecularWeight: 426.9342

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C3C=C(C=C(O3)C)C(C)(C)C.OCl(=O)(=O)=O

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C/3\C=C(C=C(O3)C)C(C)(C)C.OCl(=O)(=O)=O

InChI

InChI=1S/C20H24NOS.ClHO4/c1-6-21-17-9-7-8-10-18(17)23-19(21)13-16-12-15(20(3,4)5)11-14(2)22-16;2-1(3,4)5/h7-13H,6H2,1-5H3;(H,2,3,4,5)/q+1;/b16-13+;