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

Systemtic Name: 8-[6-methoxy-3-(phenylsulfonyl)quinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Openeye Name: 8-[3-(benzenesulfonyl)-6-methoxy-quinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane CAS Name: 8-[3-(benzenesulfonyl)-6-methoxy-4-quinolin-1-iumyl]-1,4-dioxa-8-azaspiro[4.5]decane IUPAC Name: 8-[3-(benzenesulfonyl)-6-methoxyquinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Traditional Name: 8-(3-besyl-6-methoxy-quinolin-1-ium-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane Formula: C23H25N2O5S+ MolecularWeight: 441.52

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCC5(CC4)OCCO5

Isomeric SMILES

COC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCC5(CC4)OCCO5

InChI

InChI=1S/C23H24N2O5S/c1-28-17-7-8-20-19(15-17)22(25-11-9-23(10-12-25)29-13-14-30-23)21(16-24-20)31(26,27)18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3/p+1