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

Systemtic Name: 8-[6-ethoxy-3-(phenylsulfonyl)quinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Openeye Name: 8-[3-(benzenesulfonyl)-6-ethoxy-quinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane CAS Name: 8-[3-(benzenesulfonyl)-6-ethoxy-4-quinolin-1-iumyl]-1,4-dioxa-8-azaspiro[4.5]decane IUPAC Name: 8-[3-(benzenesulfonyl)-6-ethoxyquinolin-1-ium-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Traditional Name: 8-(3-besyl-6-ethoxy-quinolin-1-ium-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane Formula: C24H27N2O5S+ MolecularWeight: 455.54658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCC5(CC4)OCCO5

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCC5(CC4)OCCO5

InChI

InChI=1S/C24H26N2O5S/c1-2-29-18-8-9-21-20(16-18)23(26-12-10-24(11-13-26)30-14-15-31-24)22(17-25-21)32(27,28)19-6-4-3-5-7-19/h3-9,16-17H,2,10-15H2,1H3/p+1