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

Systemtic Name: 4-phenethyl-2-(phenylmethyl)-8-(thian-4-yl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 2-benzyl-4-phenethyl-8-tetrahydrothiopyran-4-yl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 4-phenethyl-2-(phenylmethyl)-8-(4-thianyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 2-benzyl-4-phenethyl-8-(thian-4-yl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 2-benzyl-4-phenethyl-8-tetrahydrothiopyran-4-yl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C27H34N3O2S+ MolecularWeight: 464.64276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O2S/c31-25-27(14-17-28(18-15-27)24-12-19-33-20-13-24)30(16-11-22-7-3-1-4-8-22)26(32)29(25)21-23-9-5-2-6-10-23/h1-10,24H,11-21H2/p+1