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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-2-propan-2-yl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-isopropyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-propan-2-yl-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-propan-2-ylchromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-isopropyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromone Formula: C28H33N2O3S+ MolecularWeight: 477.63822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(C)C)C3=NC4=CC=CC=C4S3)C[NH+]5CCCC(C5)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(C)C)C3=NC4=CC=CC=C4S3)C[NH+]5CCC[C@@H](C5)C)O

InChI

InChI=1S/C28H32N2O3S/c1-5-18-13-19-25(32)23(28-29-21-10-6-7-11-22(21)34-28)26(16(2)3)33-27(19)20(24(18)31)15-30-12-8-9-17(4)14-30/h6-7,10-11,13,16-17,31H,5,8-9,12,14-15H2,1-4H3/p+1/t17-/m0/s1