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

Systemtic Name: 3-[(2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]propan-1-ol Openeye Name: 3-[(2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazol-3-yl]propan-1-ol CAS Name: 3-[(2Z)-2-[(1-methyl-4-quinolin-1-iumyl)methylidene]-1,3-benzothiazol-3-yl]-1-propanol IUPAC Name: 3-[(2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]propan-1-ol Traditional Name: 3-[(2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazol-3-yl]propan-1-ol Formula: C21H21N2OS+ MolecularWeight: 349.46924

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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)CCCO

Isomeric SMILES

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

InChI

InChI=1S/C21H21N2OS/c1-22-13-11-16(17-7-2-3-8-18(17)22)15-21-23(12-6-14-24)19-9-4-5-10-20(19)25-21/h2-5,7-11,13,15,24H,6,12,14H2,1H3/q+1