3-methyl-2-(1,2,3,3-tetramethylindol-1-ium-5-yl)-1,3-benzothiazol-3-ium

Systemtic Name: 3-methyl-2-(1,2,3,3-tetramethylindol-1-ium-5-yl)-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-(1,2,3,3-tetramethylindol-1-ium-5-yl)-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-(1,2,3,3-tetramethyl-5-indol-1-iumyl)-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-(1,2,3,3-tetramethylindol-1-ium-5-yl)-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-(1,2,3,3-tetramethylindol-1-ium-5-yl)-1,3-benzothiazol-3-ium Formula: C20H22N2S+2 MolecularWeight: 322.46708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)C3=[N+](C4=CC=CC=C4S3)C)C

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)C3=[N+](C4=CC=CC=C4S3)C)C

InChI

InChI=1S/C20H22N2S/c1-13-20(2,3)15-12-14(10-11-16(15)21(13)4)19-22(5)17-8-6-7-9-18(17)23-19/h6-12H,1-5H3/q+2