3-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-1-[1-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-ium-1-yl]propan-1-one

Systemtic Name: 3-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-1-[1-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-ium-1-yl]propan-1-one Openeye Name: 3-[(7-chloro-2H-chromen-3-yl)sulfonyl]-1-[1-(3-methyl-2-methylimino-thiazol-5-yl)piperidin-1-ium-1-yl]propan-1-one CAS Name: 3-[(7-chloro-2H-1-benzopyran-3-yl)sulfonyl]-1-[1-(3-methyl-2-methylimino-5-thiazolyl)-1-piperidin-1-iumyl]-1-propanone IUPAC Name: 3-[(7-chloro-2H-chromen-3-yl)sulfonyl]-1-[1-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-ium-1-yl]propan-1-one Traditional Name: 3-[(7-chloro-2H-chromen-3-yl)sulfonyl]-1-[1-(3-methyl-2-methylimino-4-thiazolin-5-yl)piperidin-1-ium-1-yl]propan-1-one Formula: C22H27ClN3O4S2+ MolecularWeight: 497.05048

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1N(C=C(S1)[N+]2(CCCCC2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C(C=C4)Cl)OC3)C

Isomeric SMILES

CN=C1N(C=C(S1)[N+]2(CCCCC2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C(C=C4)Cl)OC3)C

InChI

InChI=1S/C22H27ClN3O4S2/c1-24-22-25(2)14-21(31-22)26(9-4-3-5-10-26)20(27)8-11-32(28,29)18-12-16-6-7-17(23)13-19(16)30-15-18/h6-7,12-14H,3-5,8-11,15H2,1-2H3/q+1