3-[(4-nitro-2-prop-2-enyl-phenoxy)methyl]-1-azabicyclo[2.2.2]octan-3-ol hydrochloride

Systemtic Name: 3-[(4-nitro-2-prop-2-enyl-phenoxy)methyl]-1-azabicyclo[2.2.2]octan-3-ol hydrochloride Openeye Name: 3-[(2-allyl-4-nitro-phenoxy)methyl]quinuclidin-3-ol hydrochloride CAS Name: 3-[(4-nitro-2-prop-2-enylphenoxy)methyl]-1-azabicyclo[2.2.2]octan-3-ol hydrochloride IUPAC Name: 3-[(4-nitro-2-prop-2-enylphenoxy)methyl]-1-azabicyclo[2.2.2]octan-3-ol hydrochloride Traditional Name: 3-[(2-allyl-4-nitro-phenoxy)methyl]quinuclidin-3-ol hydrochloride Formula: C17H23ClN2O4 MolecularWeight: 354.82852

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC(=C1)[N+](=O)[O-])OCC2(CN3CCC2CC3)O.Cl

Isomeric SMILES

C=CCC1=C(C=CC(=C1)[N+](=O)[O-])OCC2(CN3CCC2CC3)O.Cl

InChI

InChI=1S/C17H22N2O4.ClH/c1-2-3-13-10-15(19(21)22)4-5-16(13)23-12-17(20)11-18-8-6-14(17)7-9-18;/h2,4-5,10,14,20H,1,3,6-9,11-12H2;1H