2-[(2E)-2-[(E)-3-(1-propan-2-ylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzothiazol-3-yl]ethanol

Systemtic Name: 2-[(2E)-2-[(E)-3-(1-propan-2-ylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzothiazol-3-yl]ethanol Openeye Name: 2-[(2E)-2-[(E)-3-(1-isopropylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzothiazol-3-yl]ethanol CAS Name: 2-[(2E)-2-[(E)-3-(1-propan-2-yl-4-quinolin-1-iumyl)prop-2-enylidene]-1,3-benzothiazol-3-yl]ethanol IUPAC Name: 2-[(2E)-2-[(E)-3-(1-propan-2-ylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzothiazol-3-yl]ethanol Traditional Name: 2-[(2E)-2-[(E)-3-(1-isopropylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzothiazol-3-yl]ethanol Formula: C24H25N2OS+ MolecularWeight: 389.5331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N2OS/c1-18(2)25-15-14-19(20-9-3-4-10-21(20)25)8-7-13-24-26(16-17-27)22-11-5-6-12-23(22)28-24/h3-15,18,27H,16-17H2,1-2H3/q+1