4-[[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]carbonyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]carbonyl]-2H-phthalazin-1-one Openeye Name: 4-[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decane-3-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[oxo-[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decane-3-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decane-3-carbonyl]-2H-phthalazin-1-one Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCN(C2)C(=O)C3=NNC(=O)C4=CC=CC=C43)C[NH+](C1)CCC5=CC=CC=C5

Isomeric SMILES

C1C[C@]2(CCN(C2)C(=O)C3=NNC(=O)C4=CC=CC=C43)C[NH+](C1)CCC5=CC=CC=C5

InChI

InChI=1S/C25H28N4O2/c30-23-21-10-5-4-9-20(21)22(26-27-23)24(31)29-16-13-25(18-29)12-6-14-28(17-25)15-11-19-7-2-1-3-8-19/h1-5,7-10H,6,11-18H2,(H,27,30)/p+1/t25-/m0/s1