(2Z)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4-methyl-chromen-7-amine perchlorate

Systemtic Name: (2Z)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4-methyl-chromen-7-amine perchlorate Openeye Name: (2Z)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-4-methyl-chromen-7-amine perchlorate CAS Name: (2Z)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4-methyl-1-benzopyran-7-amine perchlorate IUPAC Name: (2Z)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4-methylchromen-7-amine perchlorate Traditional Name: [(2Z)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-4-methyl-chromen-7-yl]amine perchlorate Formula: C20H19ClN2O5S MolecularWeight: 434.89326

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C3C=C(C4=C(O3)C=C(C=C4)N)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C\3/C=C(C4=C(O3)C=C(C=C4)N)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H18N2OS.ClHO4/c1-3-22-17-6-4-5-7-19(17)24-20(22)12-15-10-13(2)16-9-8-14(21)11-18(16)23-15;2-1(3,4)5/h4-12,21H,3H2,1-2H3;(H,2,3,4,5)