2-azanyl-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: 2-azanyl-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: 2-amino-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: 2-amino-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: 2-amino-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: 2-amino-3-(1,3-benzothiazol-2-yl)-4-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-one Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2C3C(=C(C(=C(O3)N)C4=NC5=CC=CC=C5S4)O)CCC2=O

Isomeric SMILES

CC1CC[NH+](CC1)CC2C3C(=C(C(=C(O3)N)C4=NC5=CC=CC=C5S4)O)CCC2=O

InChI

InChI=1S/C23H27N3O3S/c1-13-8-10-26(11-9-13)12-15-17(27)7-6-14-20(28)19(22(24)29-21(14)15)23-25-16-4-2-3-5-18(16)30-23/h2-5,13,15,21,28H,6-12,24H2,1H3/p+1