(3S,4R)-2,2-dimethyl-6-nitro-4-(2-pyrrolidin-1-ylethylamino)-3,4-dihydrochromen-3-ol dihydrochloride

Systemtic Name: (3S,4R)-2,2-dimethyl-6-nitro-4-(2-pyrrolidin-1-ylethylamino)-3,4-dihydrochromen-3-ol dihydrochloride Openeye Name: (3S,4R)-2,2-dimethyl-6-nitro-4-(2-pyrrolidin-1-ylethylamino)chroman-3-ol dihydrochloride CAS Name: (3S,4R)-2,2-dimethyl-6-nitro-4-[2-(1-pyrrolidinyl)ethylamino]-3,4-dihydro-2H-1-benzopyran-3-ol dihydrochloride IUPAC Name: (3S,4R)-2,2-dimethyl-6-nitro-4-(2-pyrrolidin-1-ylethylamino)-3,4-dihydrochromen-3-ol dihydrochloride Traditional Name: (3S,4R)-2,2-dimethyl-6-nitro-4-(2-pyrrolidinoethylamino)chroman-3-ol dihydrochloride Formula: C17H27Cl2N3O4 MolecularWeight: 408.31998

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])NCCN3CCCC3)O)C.Cl.Cl

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])NCCN3CCCC3)O)C.Cl.Cl

InChI

InChI=1S/C17H25N3O4.2ClH/c1-17(2)16(21)15(18-7-10-19-8-3-4-9-19)13-11-12(20(22)23)5-6-14(13)24-17;;/h5-6,11,15-16,18,21H,3-4,7-10H2,1-2H3;2*1H/t15-,16+;;/m1../s1