9-oxidanylidene-8-azaspiro[4.5]dec-7-en-7-olate; 8-pyrimidin-2-yl-8-aza-5-azoniaspiro[4.5]decane

Systemtic Name: 9-oxidanylidene-8-azaspiro[4.5]dec-7-en-7-olate; 8-pyrimidin-2-yl-8-aza-5-azoniaspiro[4.5]decane Openeye Name: 9-oxo-8-azaspiro[4.5]dec-7-en-7-olate; 8-pyrimidin-2-yl-8-aza-5-azoniaspiro[4.5]decane CAS Name: 9-oxo-8-azaspiro[4.5]dec-7-en-7-olate; 8-(2-pyrimidinyl)-8-aza-5-azoniaspiro[4.5]decane IUPAC Name: 9-oxo-8-azaspiro[4.5]dec-7-en-7-olate; 8-pyrimidin-2-yl-8-aza-5-azoniaspiro[4.5]decane Traditional Name: 9-keto-8-azaspiro[4.5]dec-7-en-7-olate; 8-(2-pyrimidyl)-8-aza-5-azoniaspiro[4.5]decane Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CC(=NC(=O)C2)[O-].C1CC[N+]2(C1)CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C1CCC2(C1)CC(=NC(=O)C2)[O-].C1CC[N+]2(C1)CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C12H19N4.C9H13NO2/c1-2-9-16(8-1)10-6-15(7-11-16)12-13-4-3-5-14-12;11-7-5-9(3-1-2-4-9)6-8(12)10-7/h3-5H,1-2,6-11H2;1-6H2,(H,10,11,12)/q+1;/p-1