(E)-[5-[1-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-ium-1-yl]-3-ethyl-1,3-thiazol-2-ylidene]carbamic acid

Systemtic Name: (E)-[5-[1-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-ium-1-yl]-3-ethyl-1,3-thiazol-2-ylidene]carbamic acid Openeye Name: (E)-[5-[1-[3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl]piperidin-1-ium-1-yl]-3-ethyl-thiazol-2-ylidene]carbamic acid CAS Name: (E)-[5-[1-[3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-oxopropyl]-1-piperidin-1-iumyl]-3-ethyl-2-thiazolylidene]carbamic acid IUPAC Name: (E)-[5-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-ium-1-yl]-3-ethyl-1,3-thiazol-2-ylidene]carbamic acid Traditional Name: (E)-[5-[1-[3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl]piperidin-1-ium-1-yl]-3-ethyl-4-thiazolin-2-ylidene]carbamic acid Formula: C24H27ClN3O5S2+ MolecularWeight: 537.07128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(SC1=NC(=O)O)[N+]2(CCCCC2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CCN\1C=C(S/C1=N/C(=O)O)[N+]2(CCCCC2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C24H26ClN3O5S2/c1-2-27-16-22(34-23(27)26-24(30)31)28(11-4-3-5-12-28)21(29)10-13-35(32,33)20-9-7-17-14-19(25)8-6-18(17)15-20/h6-9,14-16H,2-5,10-13H2,1H3/p+1/b26-23+