5-[1-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-ium-1-yl]-3-methyl-2-methylimino-1,3-thiazole-4-carboxylic acid

Systemtic Name: 5-[1-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-ium-1-yl]-3-methyl-2-methylimino-1,3-thiazole-4-carboxylic acid Openeye Name: 5-[1-[3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl]piperidin-1-ium-1-yl]-3-methyl-2-methylimino-thiazole-4-carboxylic acid CAS Name: 5-[1-[3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-oxopropyl]-1-piperidin-1-iumyl]-3-methyl-2-methylimino-4-thiazolecarboxylic acid IUPAC Name: 5-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-ium-1-yl]-3-methyl-2-methylimino-1,3-thiazole-4-carboxylic acid Traditional Name: 5-[1-[3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl]piperidin-1-ium-1-yl]-3-methyl-2-methylimino-4-thiazoline-4-carboxylic acid Formula: C24H27ClN3O5S2+ MolecularWeight: 537.07128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O5S2/c1-26-24-27(2)21(23(30)31)22(34-24)28(11-4-3-5-12-28)20(29)10-13-35(32,33)19-9-7-16-14-18(25)8-6-17(16)15-19/h6-9,14-15H,3-5,10-13H2,1-2H3/p+1