(3S,4R)-4-(2-azanylidenepiperidin-1-yl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S,4R)-4-(2-azanylidenepiperidin-1-yl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S,4R)-3-hydroxy-4-(2-imino-1-piperidyl)-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3S,4R)-3-hydroxy-4-(2-imino-1-piperidinyl)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-3-hydroxy-4-(2-iminopiperidin-1-yl)-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S,4R)-3-hydroxy-4-(2-iminopiperidino)-2,2-dimethyl-chroman-6-carbonitrile Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCCC3=N)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N3CCCCC3=N)O)C

InChI

InChI=1S/C17H21N3O2/c1-17(2)16(21)15(20-8-4-3-5-14(20)19)12-9-11(10-18)6-7-13(12)22-17/h6-7,9,15-16,19,21H,3-5,8H2,1-2H3/t15-,16+/m1/s1