2-[4-[(E,3Z)-3-(5-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[(E,3Z)-3-(5-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[(E,3Z)-3-(5-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]ethanol CAS Name: 2-[4-[(E,3Z)-3-(5-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-quinolin-1-iumyl]ethanol IUPAC Name: 2-[4-[(E,3Z)-3-(5-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[(E,3Z)-3-(5-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]ethanol Formula: C23H22BrN2OS+ MolecularWeight: 454.40258

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)Br)SC1=CC=CC3=CC=[N+](C4=CC=CC=C34)CCO

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)Br)S/C1=C\C=C\C3=CC=[N+](C4=CC=CC=C34)CCO

InChI

InChI=1S/C23H22BrN2OS/c1-2-26-21-16-18(24)10-11-22(21)28-23(26)9-5-6-17-12-13-25(14-15-27)20-8-4-3-7-19(17)20/h3-13,16,27H,2,14-15H2,1H3/q+1