3-(1,3-benzothiazol-2-yl)-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-8-(4-morpholin-4-iumylmethyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxochromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-keto-2-methyl-8-(morpholin-4-ium-4-ylmethyl)chromen-7-olate Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCOCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCOCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N2O4S/c1-13-19(22-23-16-4-2-3-5-18(16)29-22)20(26)14-6-7-17(25)15(21(14)28-13)12-24-8-10-27-11-9-24/h2-7,25H,8-12H2,1H3