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

Systemtic Name: 8-[6-chloranyl-3-(phenylsulfonyl)quinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Openeye Name: 8-[3-(benzenesulfonyl)-6-chloro-quinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane CAS Name: 8-[3-(benzenesulfonyl)-6-chloro-4-quinolin-1-iumyl]-1,4-dioxa-8-azaspiro[4.5]decane IUPAC Name: 8-[3-(benzenesulfonyl)-6-chloroquinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Traditional Name: 8-(3-besyl-6-chloro-quinolin-1-ium-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane Formula: C22H22ClN2O4S+ MolecularWeight: 445.93908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)C3=C4C=C(C=CC4=[NH+]C=C3S(=O)(=O)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CCC12OCCO2)C3=C4C=C(C=CC4=[NH+]C=C3S(=O)(=O)C5=CC=CC=C5)Cl

InChI

InChI=1S/C22H21ClN2O4S/c23-16-6-7-19-18(14-16)21(25-10-8-22(9-11-25)28-12-13-29-22)20(15-24-19)30(26,27)17-4-2-1-3-5-17/h1-7,14-15H,8-13H2/p+1