3-oxidanylidene-3-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]propanenitrile

Systemtic Name: 3-oxidanylidene-3-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]propanenitrile Openeye Name: 3-oxo-3-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)-1-piperidyl]propanenitrile CAS Name: 3-oxo-3-[(3S)-3-(1-pyrrolidin-1-iumylmethyl)-1-piperidinyl]propanenitrile IUPAC Name: 3-oxo-3-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]propanenitrile Traditional Name: 3-keto-3-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidino]propionitrile Formula: C13H22N3O+ MolecularWeight: 236.33328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2CCCN(C2)C(=O)CC#N

Isomeric SMILES

C1CC[NH+](C1)C[C@H]2CCCN(C2)C(=O)CC#N

InChI

InChI=1S/C13H21N3O/c14-6-5-13(17)16-9-3-4-12(11-16)10-15-7-1-2-8-15/h12H,1-5,7-11H2/p+1/t12-/m1/s1