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

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

CC1(CCC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)N)[O-])C

Isomeric SMILES

CC1(CCC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)N)[O-])C

InChI

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