2-[4-[(2-azanylidene-1,3-benzothiazol-3-id-6-yl)oxy]-6,7-dimethoxy-quinolin-1-ium-1-yl]-1-phenyl-ethanone

Systemtic Name: 2-[4-[(2-azanylidene-1,3-benzothiazol-3-id-6-yl)oxy]-6,7-dimethoxy-quinolin-1-ium-1-yl]-1-phenyl-ethanone Openeye Name: 2-[4-[(2-imino-1,3-benzothiazol-3-id-6-yl)oxy]-6,7-dimethoxy-quinolin-1-ium-1-yl]-1-phenyl-ethanone CAS Name: 2-[4-[(2-imino-1,3-benzothiazol-3-id-6-yl)oxy]-6,7-dimethoxy-1-quinolin-1-iumyl]-1-phenylethanone IUPAC Name: 2-[4-[(2-imino-1,3-benzothiazol-3-id-6-yl)oxy]-6,7-dimethoxyquinolin-1-ium-1-yl]-1-phenylethanone Traditional Name: 2-[4-[(2-imino-1,3-benzothiazol-3-id-6-yl)oxy]-6,7-dimethoxy-quinolin-1-ium-1-yl]-1-phenyl-ethanone Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C[N+](=C2C=C1OC)CC(=O)C3=CC=CC=C3)OC4=CC5=C(C=C4)[N-]C(=N)S5

Isomeric SMILES

COC1=CC2=C(C=C[N+](=C2C=C1OC)CC(=O)C3=CC=CC=C3)OC4=CC5=C(C=C4)[N-]C(=N)S5

InChI

InChI=1S/C26H21N3O4S/c1-31-23-13-18-20(14-24(23)32-2)29(15-21(30)16-6-4-3-5-7-16)11-10-22(18)33-17-8-9-19-25(12-17)34-26(27)28-19/h3-14H,15H2,1-2H3,(H-,27,28)