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

Systemtic Name: 2-azanyl-3-(1,3-benzothiazol-2-yl)-8-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 2-amino-3-(1,3-benzothiazol-2-yl)-8-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-chromen-4-one CAS Name: 2-amino-3-(1,3-benzothiazol-2-yl)-8-[[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-1-benzopyran-4-one IUPAC Name: 2-amino-3-(1,3-benzothiazol-2-yl)-8-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-7-hydroxychromen-4-one Traditional Name: 2-amino-3-(1,3-benzothiazol-2-yl)-8-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-chromone Formula: C24H26N3O3S+ MolecularWeight: 436.54654

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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

C[C@H]1CCC[C@@H]([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/p+1/t13-,14-/m0/s1