2-[(E)-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(E)-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(E)-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-[2-(4-methoxyphenyl)-6-methyl-1-benzopyran-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(E)-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium Formula: C26H22NO2S+ MolecularWeight: 412.52338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=CC3=[N+](C4=CC=CC=C4S3)C)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC\2=C(C=C1)OC(=C/C2=C\C3=[N+](C4=CC=CC=C4S3)C)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H22NO2S/c1-17-8-13-23-21(14-17)19(15-24(29-23)18-9-11-20(28-3)12-10-18)16-26-27(2)22-6-4-5-7-25(22)30-26/h4-16H,1-3H3/q+1/b19-16+