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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromone Formula: C23H23N2O3S+ MolecularWeight: 407.50532

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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)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=NC5=CC=CC=C5S4)O

InChI

InChI=1S/C23H22N2O3S/c1-14-6-4-5-11-25(14)12-16-19(26)10-9-15-21(27)17(13-28-22(15)16)23-24-18-7-2-3-8-20(18)29-23/h2-3,7-10,13-14,26H,4-6,11-12H2,1H3/p+1/t14-/m0/s1