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

Systemtic Name: 4-phenethyl-8-(phenylmethyl)-2-(pyridin-3-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 8-benzyl-4-phenethyl-2-(3-pyridylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 4-phenethyl-8-(phenylmethyl)-2-(3-pyridinylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 8-benzyl-4-phenethyl-2-(pyridin-3-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 8-benzyl-4-phenethyl-2-(3-pyridylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C28H31N4O2+ MolecularWeight: 455.57134

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC12C(=O)N(C(=O)N2CCC3=CC=CC=C3)CC4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC12C(=O)N(C(=O)N2CCC3=CC=CC=C3)CC4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H30N4O2/c33-26-28(14-18-30(19-15-28)21-24-10-5-2-6-11-24)32(17-13-23-8-3-1-4-9-23)27(34)31(26)22-25-12-7-16-29-20-25/h1-12,16,20H,13-15,17-19,21-22H2/p+1