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

Systemtic Name: 8-[3-(3,4-dimethylphenyl)sulfonylquinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Openeye Name: 8-[3-(3,4-dimethylphenyl)sulfonylquinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane CAS Name: 8-[3-(3,4-dimethylphenyl)sulfonyl-4-quinolin-1-iumyl]-1,4-dioxa-8-azaspiro[4.5]decane IUPAC Name: 8-[3-(3,4-dimethylphenyl)sulfonylquinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Traditional Name: 8-[3-(3,4-dimethylphenyl)sulfonylquinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Formula: C24H27N2O4S+ MolecularWeight: 439.54718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O4S/c1-17-7-8-19(15-18(17)2)31(27,28)22-16-25-21-6-4-3-5-20(21)23(22)26-11-9-24(10-12-26)29-13-14-30-24/h3-8,15-16H,9-14H2,1-2H3/p+1