(3S,4R)-2,2-dimethyl-5-nitro-4-piperidin-1-yl-3,4-dihydrochromen-3-ol hydrochloride

Systemtic Name: (3S,4R)-2,2-dimethyl-5-nitro-4-piperidin-1-yl-3,4-dihydrochromen-3-ol hydrochloride Openeye Name: (3S,4R)-2,2-dimethyl-5-nitro-4-(1-piperidyl)chroman-3-ol hydrochloride CAS Name: (3S,4R)-2,2-dimethyl-5-nitro-4-(1-piperidinyl)-3,4-dihydro-2H-1-benzopyran-3-ol hydrochloride IUPAC Name: (3S,4R)-2,2-dimethyl-5-nitro-4-piperidin-1-yl-3,4-dihydrochromen-3-ol hydrochloride Traditional Name: (3S,4R)-2,2-dimethyl-5-nitro-4-piperidino-chroman-3-ol hydrochloride Formula: C16H23ClN2O4 MolecularWeight: 342.81782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(C=CC=C2O1)[N+](=O)[O-])N3CCCCC3)O)C.Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4.ClH/c1-16(2)15(19)14(17-9-4-3-5-10-17)13-11(18(20)21)7-6-8-12(13)22-16;/h6-8,14-15,19H,3-5,9-10H2,1-2H3;1H/t14-,15+;/m1./s1