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

Systemtic Name: 4-phenethyl-8-(pyridin-2-ylmethyl)-2-(pyridin-3-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 4-phenethyl-8-(2-pyridylmethyl)-2-(3-pyridylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 4-phenethyl-8-(2-pyridinylmethyl)-2-(3-pyridinylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 4-phenethyl-8-(pyridin-2-ylmethyl)-2-(pyridin-3-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 4-phenethyl-8-(2-pyridylmethyl)-2-(3-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=CN=CC=C4)CC5=CC=CC=N5

Isomeric SMILES

C1C[NH+](CCC12C(=O)N(C(=O)N2CCC3=CC=CC=C3)CC4=CN=CC=C4)CC5=CC=CC=N5

InChI

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