2-[(E)-[7-methoxy-2-(4-methylphenyl)chromen-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(E)-[7-methoxy-2-(4-methylphenyl)chromen-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(E)-[7-methoxy-2-(p-tolyl)chromen-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-[7-methoxy-2-(4-methylphenyl)-1-benzopyran-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-[7-methoxy-2-(4-methylphenyl)chromen-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(E)-[7-methoxy-2-(p-tolyl)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=CC=C(C=C1)C2=CC(=CC3=[N+](C4=CC=CC=C4S3)C)C5=C(O2)C=C(C=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C/C(=C\C3=[N+](C4=CC=CC=C4S3)C)/C5=C(O2)C=C(C=C5)OC

InChI

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