3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-6-ethyl-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-6-ethyl-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-6-ethyl-4-oxo-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethyl-1-piperidin-1-iumyl)methyl]-6-ethyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-6-ethyl-4-oxochromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-6-ethyl-4-keto-chromen-7-olate Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)C[NH+]5CCCC(C5)(C)C)[O-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)C[NH+]5CCCC(C5)(C)C)[O-]

InChI

InChI=1S/C26H28N2O3S/c1-4-16-12-17-23(30)19(25-27-20-8-5-6-9-21(20)32-25)14-31-24(17)18(22(16)29)13-28-11-7-10-26(2,3)15-28/h5-6,8-9,12,14,29H,4,7,10-11,13,15H2,1-3H3