2-[[(3S,4S)-6,6-dimethyl-4-piperidin-1-yl-oxan-3-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[(3S,4S)-6,6-dimethyl-4-piperidin-1-yl-oxan-3-yl]methylidene]propanedinitrile Openeye Name: 2-[[(3S,4S)-6,6-dimethyl-4-(1-piperidyl)tetrahydropyran-3-yl]methylene]propanedinitrile CAS Name: 2-[[(3S,4S)-6,6-dimethyl-4-(1-piperidinyl)-3-oxanyl]methylidene]propanedinitrile IUPAC Name: 2-[[(3S,4S)-6,6-dimethyl-4-piperidin-1-yloxan-3-yl]methylidene]propanedinitrile Traditional Name: 2-[[(3S,4S)-6,6-dimethyl-4-piperidino-tetrahydropyran-3-yl]methylene]malononitrile Formula: C16H23N3O MolecularWeight: 273.37332

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(CO1)C=C(C#N)C#N)N2CCCCC2)C

Isomeric SMILES

CC1(C[C@@H]([C@@H](CO1)C=C(C#N)C#N)N2CCCCC2)C

InChI

InChI=1S/C16H23N3O/c1-16(2)9-15(19-6-4-3-5-7-19)14(12-20-16)8-13(10-17)11-18/h8,14-15H,3-7,9,12H2,1-2H3/t14-,15+/m1/s1