8-[3-(4-methylphenyl)sulfonylquinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

Systemtic Name: 8-[3-(4-methylphenyl)sulfonylquinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Openeye Name: 8-[3-(p-tolylsulfonyl)quinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane CAS Name: 8-[3-(4-methylphenyl)sulfonyl-4-quinolin-1-iumyl]-1,4-dioxa-8-azaspiro[4.5]decane IUPAC Name: 8-[3-(4-methylphenyl)sulfonylquinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Traditional Name: 8-(3-tosylquinolin-1-ium-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane Formula: C23H25N2O4S+ MolecularWeight: 425.5206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CCC5(CC4)OCCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CCC5(CC4)OCCO5

InChI

InChI=1S/C23H24N2O4S/c1-17-6-8-18(9-7-17)30(26,27)21-16-24-20-5-3-2-4-19(20)22(21)25-12-10-23(11-13-25)28-14-15-29-23/h2-9,16H,10-15H2,1H3/p+1