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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4)O

InChI

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