3-[4-(3-oxidanylidene-4-oxaspiro[4.5]dec-1-en-1-yl)piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(3-oxidanylidene-4-oxaspiro[4.5]dec-1-en-1-yl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(3-oxo-4-oxaspiro[4.5]dec-1-en-1-yl)piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(3-oxo-4-oxaspiro[4.5]dec-1-en-1-yl)-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(3-oxo-4-oxaspiro[4.5]dec-1-en-1-yl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(3-keto-4-oxaspiro[4.5]dec-1-en-1-yl)piperazin-1-ium-1-yl]propionitrile Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(=CC(=O)O2)N3CC[NH+](CC3)CCC#N

Isomeric SMILES

C1CCC2(CC1)C(=CC(=O)O2)N3CC[NH+](CC3)CCC#N

InChI

InChI=1S/C16H23N3O2/c17-7-4-8-18-9-11-19(12-10-18)14-13-15(20)21-16(14)5-2-1-3-6-16/h13H,1-6,8-12H2/p+1