8-[6-ethyl-3-(4-methylphenyl)sulfonyl-quinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

Systemtic Name: 8-[6-ethyl-3-(4-methylphenyl)sulfonyl-quinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Openeye Name: 8-[6-ethyl-3-(p-tolylsulfonyl)quinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane CAS Name: 8-[6-ethyl-3-(4-methylphenyl)sulfonyl-4-quinolin-1-iumyl]-1,4-dioxa-8-azaspiro[4.5]decane IUPAC Name: 8-[6-ethyl-3-(4-methylphenyl)sulfonylquinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Traditional Name: 8-(6-ethyl-3-tosyl-quinolin-1-ium-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane Formula: C25H29N2O4S+ MolecularWeight: 453.57376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C)N4CCC5(CC4)OCCO5

Isomeric SMILES

CCC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C)N4CCC5(CC4)OCCO5

InChI

InChI=1S/C25H28N2O4S/c1-3-19-6-9-22-21(16-19)24(27-12-10-25(11-13-27)30-14-15-31-25)23(17-26-22)32(28,29)20-7-4-18(2)5-8-20/h4-9,16-17H,3,10-15H2,1-2H3/p+1