3-methyl-2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-methyl-2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-[(E)-(1,3,3-trimethylindolin-2-ylidene)methyl]-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-[(E)-(1,3,3-trimethyl-2-indolylidene)methyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-[(E)-(1,3,3-trimethylindolin-2-ylidene)methyl]-1,3-benzothiazol-3-ium Formula: C20H21N2S+ MolecularWeight: 321.45914

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC3=[N+](C4=CC=CC=C4S3)C)C)C

Isomeric SMILES

CC\1(C2=CC=CC=C2N(/C1=C/C3=[N+](C4=CC=CC=C4S3)C)C)C

InChI

InChI=1S/C20H21N2S/c1-20(2)14-9-5-6-10-15(14)21(3)18(20)13-19-22(4)16-11-7-8-12-17(16)23-19/h5-13H,1-4H3/q+1