5-methyl-7-[2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]quinolin-1-ium-8-one

Systemtic Name: 5-methyl-7-[2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]quinolin-1-ium-8-one Openeye Name: 5-methyl-7-[2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]quinolin-1-ium-8-one CAS Name: 5-methyl-7-[2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-8-quinolin-1-iumone IUPAC Name: 5-methyl-7-[2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]quinolin-1-ium-8-one Traditional Name: 5-methyl-7-[2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]quinolin-1-ium-8-one Formula: C20H17N2OS+ MolecularWeight: 333.42678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C2N(C3=CC=CC=C3S2)C)C(=O)C4=C1C=CC=[NH+]4

Isomeric SMILES

CC1=CC(=CC=C2N(C3=CC=CC=C3S2)C)C(=O)C4=C1C=CC=[NH+]4

InChI

InChI=1S/C20H16N2OS/c1-13-12-14(20(23)19-15(13)6-5-11-21-19)9-10-18-22(2)16-7-3-4-8-17(16)24-18/h3-12H,1-2H3/p+1