(3S,4R)-2,2-dimethyl-6-nitro-4-piperidin-1-yl-3,4-dihydrochromen-3-ol; methanesulfonic acid

Systemtic Name: (3S,4R)-2,2-dimethyl-6-nitro-4-piperidin-1-yl-3,4-dihydrochromen-3-ol; methanesulfonic acid Openeye Name: (3S,4R)-2,2-dimethyl-6-nitro-4-(1-piperidyl)chroman-3-ol; methanesulfonic acid CAS Name: (3S,4R)-2,2-dimethyl-6-nitro-4-(1-piperidinyl)-3,4-dihydro-2H-1-benzopyran-3-ol; methanesulfonic acid IUPAC Name: (3S,4R)-2,2-dimethyl-6-nitro-4-piperidin-1-yl-3,4-dihydrochromen-3-ol; methanesulfonic acid Traditional Name: (3S,4R)-2,2-dimethyl-6-nitro-4-piperidino-chroman-3-ol; mesylic acid Formula: C17H26N2O7S MolecularWeight: 402.46254

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CCCCC3)O)C.CS(=O)(=O)O

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CCCCC3)O)C.CS(=O)(=O)O

InChI

InChI=1S/C16H22N2O4.CH4O3S/c1-16(2)15(19)14(17-8-4-3-5-9-17)12-10-11(18(20)21)6-7-13(12)22-16;1-5(2,3)4/h6-7,10,14-15,19H,3-5,8-9H2,1-2H3;1H3,(H,2,3,4)/t14-,15+;/m1./s1