2-azanyl-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 2-azanyl-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 2-amino-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 2-amino-6-ethyl-3-(4-methyl-2-thiazolyl)-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 2-amino-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 2-amino-6-ethyl-4-keto-3-(4-methylthiazol-2-yl)-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)N)C3=NC(=CS3)C)C[NH+]4CCCCC4)[O-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)N)C3=NC(=CS3)C)C[NH+]4CCCCC4)[O-]

InChI

InChI=1S/C21H25N3O3S/c1-3-13-9-14-18(26)16(21-23-12(2)11-28-21)20(22)27-19(14)15(17(13)25)10-24-7-5-4-6-8-24/h9,11,25H,3-8,10,22H2,1-2H3