1-[1-(2-azanylidene-3-ethyl-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-ethyl-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-(3-ethyl-2-imino-thiazol-5-yl)piperidin-1-ium-1-yl]propan-1-one CAS Name: 3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[1-(3-ethyl-2-imino-5-thiazolyl)-1-piperidin-1-iumyl]-1-propanone IUPAC Name: 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[1-(3-ethyl-2-imino-1,3-thiazol-5-yl)piperidin-1-ium-1-yl]propan-1-one Traditional Name: 3-[(6-chloro-2-naphthyl)sulfonyl]-1-[1-(3-ethyl-2-imino-4-thiazolin-5-yl)piperidin-1-ium-1-yl]propan-1-one Formula: C23H27ClN3O3S2+ MolecularWeight: 493.06178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN3O3S2/c1-2-26-16-22(31-23(26)25)27(11-4-3-5-12-27)21(28)10-13-32(29,30)20-9-7-17-14-19(24)8-6-18(17)15-20/h6-9,14-16,25H,2-5,10-13H2,1H3/q+1