1-ethyl-2-[(E)-2-(2-ethyl-3-methoxy-isoindol-1-yl)ethenyl]benzo[e][1,3]benzothiazol-1-ium

Systemtic Name: 1-ethyl-2-[(E)-2-(2-ethyl-3-methoxy-isoindol-1-yl)ethenyl]benzo[e][1,3]benzothiazol-1-ium Openeye Name: 1-ethyl-2-[(E)-2-(2-ethyl-3-methoxy-isoindol-1-yl)vinyl]benzo[e][1,3]benzothiazol-1-ium CAS Name: 1-ethyl-2-[(E)-2-(2-ethyl-3-methoxy-1-isoindolyl)ethenyl]benzo[e][1,3]benzothiazol-1-ium IUPAC Name: 1-ethyl-2-[(E)-2-(2-ethyl-3-methoxyisoindol-1-yl)ethenyl]benzo[e][1,3]benzothiazol-1-ium Traditional Name: 1-ethyl-2-[(E)-2-(2-ethyl-3-methoxy-isoindol-1-yl)vinyl]benzo[e][1,3]benzothiazol-1-ium Formula: C26H25N2OS+ MolecularWeight: 413.5545

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC=CC2=C1OC)C=CC3=[N+](C4=C(S3)C=CC5=CC=CC=C54)CC

Isomeric SMILES

CCN1C(=C2C=CC=CC2=C1OC)/C=C/C3=[N+](C4=C(S3)C=CC5=CC=CC=C54)CC

InChI

InChI=1S/C26H25N2OS/c1-4-27-22(20-12-8-9-13-21(20)26(27)29-3)15-17-24-28(5-2)25-19-11-7-6-10-18(19)14-16-23(25)30-24/h6-17H,4-5H2,1-3H3/q+1