1-[1-(2-azanylidene-3-methyl-1,3-thiazol-5-yl)piperidin-1-ium-1-yl]-3-(6-chloranylnaphthalen-2-yl)sulfonyl-propan-1-one

Systemtic Name: 1-[1-(2-azanylidene-3-methyl-1,3-thiazol-5-yl)piperidin-1-ium-1-yl]-3-(6-chloranylnaphthalen-2-yl)sulfonyl-propan-1-one Openeye Name: 3-[(6-chloro-2-naphthyl)sulfonyl]-1-[1-(2-imino-3-methyl-thiazol-5-yl)piperidin-1-ium-1-yl]propan-1-one CAS Name: 3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[1-(2-imino-3-methyl-5-thiazolyl)-1-piperidin-1-iumyl]-1-propanone IUPAC Name: 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[1-(2-imino-3-methyl-1,3-thiazol-5-yl)piperidin-1-ium-1-yl]propan-1-one Traditional Name: 3-[(6-chloro-2-naphthyl)sulfonyl]-1-[1-(2-imino-3-methyl-4-thiazolin-5-yl)piperidin-1-ium-1-yl]propan-1-one Formula: C22H25ClN3O3S2+ MolecularWeight: 479.0352

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(SC1=N)[N+]2(CCCCC2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CN1C=C(SC1=N)[N+]2(CCCCC2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN3O3S2/c1-25-15-21(30-22(25)24)26(10-3-2-4-11-26)20(27)9-12-31(28,29)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,24H,2-4,9-12H2,1H3/q+1