4-[4-[(E)-2-(3-prop-2-ynyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenyl]morpholine

Systemtic Name: 4-[4-[(E)-2-(3-prop-2-ynyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenyl]morpholine Openeye Name: 4-[4-[(E)-2-(3-prop-2-ynyl-1,3-benzothiazol-3-ium-2-yl)vinyl]phenyl]morpholine CAS Name: 4-[4-[(E)-2-(3-prop-2-ynyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenyl]morpholine IUPAC Name: 4-[4-[(E)-2-(3-prop-2-ynyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenyl]morpholine Traditional Name: 4-[4-[(E)-2-(3-propargyl-1,3-benzothiazol-3-ium-2-yl)vinyl]phenyl]morpholine Formula: C22H21N2OS+ MolecularWeight: 361.47994

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

C#CC[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H21N2OS/c1-2-13-24-20-5-3-4-6-21(20)26-22(24)12-9-18-7-10-19(11-8-18)23-14-16-25-17-15-23/h1,3-12H,13-17H2/q+1