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

Systemtic Name: 4-phenethyl-2-(pyridin-3-ylmethyl)-8-(thian-4-yl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 4-phenethyl-2-(3-pyridylmethyl)-8-tetrahydrothiopyran-4-yl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 4-phenethyl-2-(3-pyridinylmethyl)-8-(4-thianyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 4-phenethyl-2-(pyridin-3-ylmethyl)-8-(thian-4-yl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 4-phenethyl-2-(3-pyridylmethyl)-8-tetrahydrothiopyran-4-yl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C26H33N4O2S+ MolecularWeight: 465.63082

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1[NH+]2CCC3(CC2)C(=O)N(C(=O)N3CCC4=CC=CC=C4)CC5=CN=CC=C5

Isomeric SMILES

C1CSCCC1[NH+]2CCC3(CC2)C(=O)N(C(=O)N3CCC4=CC=CC=C4)CC5=CN=CC=C5

InChI

InChI=1S/C26H32N4O2S/c31-24-26(11-15-28(16-12-26)23-9-17-33-18-10-23)30(14-8-21-5-2-1-3-6-21)25(32)29(24)20-22-7-4-13-27-19-22/h1-7,13,19,23H,8-12,14-18,20H2/p+1