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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromone Formula: C26H29N2O3S+ MolecularWeight: 449.58506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)C[NH+]5CCC(CC5)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)C[NH+]5CCC(CC5)C)O

InChI

InChI=1S/C26H28N2O3S/c1-4-17-13-18-24(30)22(26-27-20-7-5-6-8-21(20)32-26)16(3)31-25(18)19(23(17)29)14-28-11-9-15(2)10-12-28/h5-8,13,15,29H,4,9-12,14H2,1-3H3/p+1