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

Systemtic Name: 4-phenethyl-2,8-bis(pyridin-2-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 4-phenethyl-2,8-bis(2-pyridylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 4-phenethyl-2,8-bis(2-pyridinylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 4-phenethyl-2,8-bis(pyridin-2-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 4-phenethyl-2,8-bis(2-pyridylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C27H30N5O2+ MolecularWeight: 456.5594

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC12C(=O)N(C(=O)N2CCC3=CC=CC=C3)CC4=CC=CC=N4)CC5=CC=CC=N5

Isomeric SMILES

C1C[NH+](CCC12C(=O)N(C(=O)N2CCC3=CC=CC=C3)CC4=CC=CC=N4)CC5=CC=CC=N5

InChI

InChI=1S/C27H29N5O2/c33-25-27(13-18-30(19-14-27)20-23-10-4-6-15-28-23)32(17-12-22-8-2-1-3-9-22)26(34)31(25)21-24-11-5-7-16-29-24/h1-11,15-16H,12-14,17-21H2/p+1