(3S,4R)-2,2-dimethyl-3-oxidanyl-4-piperidin-1-yl-3,4-dihydrochromene-8-carbonitrile hydrochloride

Systemtic Name: (3S,4R)-2,2-dimethyl-3-oxidanyl-4-piperidin-1-yl-3,4-dihydrochromene-8-carbonitrile hydrochloride Openeye Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(1-piperidyl)chromane-8-carbonitrile hydrochloride CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(1-piperidinyl)-3,4-dihydro-2H-1-benzopyran-8-carbonitrile hydrochloride IUPAC Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-8-carbonitrile hydrochloride Traditional Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidino-chroman-8-carbonitrile hydrochloride Formula: C17H23ClN2O2 MolecularWeight: 322.82972

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC=CC(=C2O1)C#N)N3CCCCC3)O)C.Cl

Isomeric SMILES

CC1([C@H]([C@@H](C2=CC=CC(=C2O1)C#N)N3CCCCC3)O)C.Cl

InChI

InChI=1S/C17H22N2O2.ClH/c1-17(2)16(20)14(19-9-4-3-5-10-19)13-8-6-7-12(11-18)15(13)21-17;/h6-8,14,16,20H,3-5,9-10H2,1-2H3;1H/t14-,16+;/m1./s1