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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromone Formula: C25H27N2O3S+ MolecularWeight: 435.55848

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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+]5CCCCC5C)O

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3S/c1-3-16-12-17-23(29)19(25-26-20-9-4-5-10-21(20)31-25)14-30-24(17)18(22(16)28)13-27-11-7-6-8-15(27)2/h4-5,9-10,12,14-15,28H,3,6-8,11,13H2,1-2H3/p+1/t15-/m0/s1