4-ethyl-2-(pyridin-2-ylmethyl)-8-(thian-4-yl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione

Systemtic Name: 4-ethyl-2-(pyridin-2-ylmethyl)-8-(thian-4-yl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 4-ethyl-2-(2-pyridylmethyl)-8-tetrahydrothiopyran-4-yl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 4-ethyl-2-(2-pyridinylmethyl)-8-(4-thianyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 4-ethyl-2-(pyridin-2-ylmethyl)-8-(thian-4-yl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 4-ethyl-2-(2-pyridylmethyl)-8-tetrahydrothiopyran-4-yl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)N(C(=O)C12CC[NH+](CC2)C3CCSCC3)CC4=CC=CC=N4

Isomeric SMILES

CCN1C(=O)N(C(=O)C12CC[NH+](CC2)C3CCSCC3)CC4=CC=CC=N4

InChI

InChI=1S/C20H28N4O2S/c1-2-24-19(26)23(15-16-5-3-4-10-21-16)18(25)20(24)8-11-22(12-9-20)17-6-13-27-14-7-17/h3-5,10,17H,2,6-9,11-15H2,1H3/p+1