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

Systemtic Name: 8-[3-(phenylsulfonyl)quinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Openeye Name: 8-[3-(benzenesulfonyl)quinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane CAS Name: 8-[3-(benzenesulfonyl)-4-quinolin-1-iumyl]-1,4-dioxa-8-azaspiro[4.5]decane IUPAC Name: 8-[3-(benzenesulfonyl)quinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Traditional Name: 8-(3-besylquinolin-1-ium-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane Formula: C22H23N2O4S+ MolecularWeight: 411.49402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)C3=C(C=[NH+]C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC12OCCO2)C3=C(C=[NH+]C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C22H22N2O4S/c25-29(26,17-6-2-1-3-7-17)20-16-23-19-9-5-4-8-18(19)21(20)24-12-10-22(11-13-24)27-14-15-28-22/h1-9,16H,10-15H2/p+1