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

Systemtic Name: 8-[6-methoxy-3-(4-methylphenyl)sulfonyl-quinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Openeye Name: 8-[6-methoxy-3-(p-tolylsulfonyl)quinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane CAS Name: 8-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-quinolin-1-iumyl]-1,4-dioxa-8-azaspiro[4.5]decane IUPAC Name: 8-[6-methoxy-3-(4-methylphenyl)sulfonylquinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Traditional Name: 8-(6-methoxy-3-tosyl-quinolin-1-ium-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane Formula: C24H27N2O5S+ MolecularWeight: 455.54658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCC5(CC4)OCCO5)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCC5(CC4)OCCO5)OC

InChI

InChI=1S/C24H26N2O5S/c1-17-3-6-19(7-4-17)32(27,28)22-16-25-21-8-5-18(29-2)15-20(21)23(22)26-11-9-24(10-12-26)30-13-14-31-24/h3-8,15-16H,9-14H2,1-2H3/p+1