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

Systemtic Name: 8-[3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-quinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Openeye Name: 8-[3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-quinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane CAS Name: 8-[3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-4-quinolin-1-iumyl]-1,4-dioxa-8-azaspiro[4.5]decane IUPAC Name: 8-[3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Traditional Name: 8-[3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-quinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Formula: C25H29N2O5S+ MolecularWeight: 469.57316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5S/c1-17-4-6-20(14-18(17)2)33(28,29)23-16-26-22-7-5-19(30-3)15-21(22)24(23)27-10-8-25(9-11-27)31-12-13-32-25/h4-7,14-16H,8-13H2,1-3H3/p+1