2-[(2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]ethanoic acid

Systemtic Name: 2-[(2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]ethanoic acid Openeye Name: 2-[(2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazol-3-yl]acetic acid CAS Name: 2-[(2Z)-2-[(1-methyl-4-quinolin-1-iumyl)methylidene]-1,3-benzothiazol-3-yl]acetic acid IUPAC Name: 2-[(2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]acetic acid Traditional Name: 2-[(2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazol-3-yl]acetic acid Formula: C20H17N2O2S+ MolecularWeight: 349.42618

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C2=CC=CC=C21)C=C3N(C4=CC=CC=C4S3)CC(=O)O

Isomeric SMILES

C[N+]1=CC=C(C2=CC=CC=C21)/C=C\3/N(C4=CC=CC=C4S3)CC(=O)O

InChI

InChI=1S/C20H16N2O2S/c1-21-11-10-14(15-6-2-3-7-16(15)21)12-19-22(13-20(23)24)17-8-4-5-9-18(17)25-19/h2-12H,13H2,1H3/p+1