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

Systemtic Name: 2-azanyl-3-(1,3-benzothiazol-2-yl)-8-[(2,6-dimethylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 2-amino-3-(1,3-benzothiazol-2-yl)-8-[(2,6-dimethylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 2-amino-3-(1,3-benzothiazol-2-yl)-8-[(2,6-dimethyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 2-amino-3-(1,3-benzothiazol-2-yl)-8-[(2,6-dimethylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 2-amino-3-(1,3-benzothiazol-2-yl)-8-[(2,6-dimethylpiperidin-1-ium-1-yl)methyl]-4-keto-chromen-7-olate Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)N)[O-])C

Isomeric SMILES

CC1CCCC([NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)N)[O-])C

InChI

InChI=1S/C24H25N3O3S/c1-13-6-5-7-14(2)27(13)12-16-18(28)11-10-15-21(29)20(23(25)30-22(15)16)24-26-17-8-3-4-9-19(17)31-24/h3-4,8-11,13-14,28H,5-7,12,25H2,1-2H3