(3S,4R)-2,2-dimethyl-6-nitro-4-(4-phenylpiperazin-1-yl)-3,4-dihydrochromen-3-ol hydrochloride

Systemtic Name: (3S,4R)-2,2-dimethyl-6-nitro-4-(4-phenylpiperazin-1-yl)-3,4-dihydrochromen-3-ol hydrochloride Openeye Name: (3S,4R)-2,2-dimethyl-6-nitro-4-(4-phenylpiperazin-1-yl)chroman-3-ol hydrochloride CAS Name: (3S,4R)-2,2-dimethyl-6-nitro-4-(4-phenyl-1-piperazinyl)-3,4-dihydro-2H-1-benzopyran-3-ol hydrochloride IUPAC Name: (3S,4R)-2,2-dimethyl-6-nitro-4-(4-phenylpiperazin-1-yl)-3,4-dihydrochromen-3-ol hydrochloride Traditional Name: (3S,4R)-2,2-dimethyl-6-nitro-4-(4-phenylpiperazino)chroman-3-ol hydrochloride Formula: C21H26ClN3O4 MolecularWeight: 419.90184

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4)O)C.Cl

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4)O)C.Cl

InChI

InChI=1S/C21H25N3O4.ClH/c1-21(2)20(25)19(17-14-16(24(26)27)8-9-18(17)28-21)23-12-10-22(11-13-23)15-6-4-3-5-7-15;/h3-9,14,19-20,25H,10-13H2,1-2H3;1H/t19-,20+;/m1./s1