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

Systemtic Name: 8-(cyclohexylmethyl)-4-phenethyl-2-(pyridin-3-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 8-(cyclohexylmethyl)-4-phenethyl-2-(3-pyridylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 8-(cyclohexylmethyl)-4-phenethyl-2-(3-pyridinylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 8-(cyclohexylmethyl)-4-phenethyl-2-(pyridin-3-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 8-(cyclohexylmethyl)-4-phenethyl-2-(3-pyridylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C28H37N4O2+ MolecularWeight: 461.61898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCC3(CC2)C(=O)N(C(=O)N3CCC4=CC=CC=C4)CC5=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC3(CC2)C(=O)N(C(=O)N3CCC4=CC=CC=C4)CC5=CN=CC=C5

InChI

InChI=1S/C28H36N4O2/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/h1,3-4,7-9,12,16,20,24H,2,5-6,10-11,13-15,17-19,21-22H2/p+1