3-(1,3-benzothiazol-2-yl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-4-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(1,3-benzothiazol-2-yl)-4-hydroxy-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-4-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-one Formula: C23H27N2O3S+ MolecularWeight: 411.53708

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2C3C(=C(C(=CO3)C4=NC5=CC=CC=C5S4)O)CCC2=O

Isomeric SMILES

CC1CC[NH+](CC1)CC2C3C(=C(C(=CO3)C4=NC5=CC=CC=C5S4)O)CCC2=O

InChI

InChI=1S/C23H26N2O3S/c1-14-8-10-25(11-9-14)12-16-19(26)7-6-15-21(27)17(13-28-22(15)16)23-24-18-4-2-3-5-20(18)29-23/h2-5,13-14,16,22,27H,6-12H2,1H3/p+1