3-[(2E)-2-[(1-methyl-2-phenyl-quinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]propan-1-ol perchlorate

Systemtic Name: 3-[(2E)-2-[(1-methyl-2-phenyl-quinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]propan-1-ol perchlorate Openeye Name: 3-[(2E)-2-[(1-methyl-2-phenyl-quinolin-1-ium-4-yl)methylene]-1,3-benzothiazol-3-yl]propan-1-ol perchlorate CAS Name: 3-[(2E)-2-[(1-methyl-2-phenyl-4-quinolin-1-iumyl)methylidene]-1,3-benzothiazol-3-yl]-1-propanol perchlorate IUPAC Name: 3-[(2E)-2-[(1-methyl-2-phenylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]propan-1-ol perchlorate Traditional Name: 3-[(2E)-2-[(1-methyl-2-phenyl-quinolin-1-ium-4-yl)methylene]-1,3-benzothiazol-3-yl]propan-1-ol perchlorate Formula: C27H25ClN2O5S MolecularWeight: 525.0158

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C(C2=CC=CC=C21)C=C3N(C4=CC=CC=C4S3)CCCO)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]1=C(C=C(C2=CC=CC=C21)/C=C/3\N(C4=CC=CC=C4S3)CCCO)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C27H25N2OS.ClHO4/c1-28-23-13-6-5-12-22(23)21(18-25(28)20-10-3-2-4-11-20)19-27-29(16-9-17-30)24-14-7-8-15-26(24)31-27;2-1(3,4)5/h2-8,10-15,18-19,30H,9,16-17H2,1H3;(H,2,3,4,5)/q+1;/p-1