(3S)-3-(2-methoxy-5-nitro-phenoxy)piperidin-1-ium

Systemtic Name: (3S)-3-(2-methoxy-5-nitro-phenoxy)piperidin-1-ium Openeye Name: (3S)-3-(2-methoxy-5-nitro-phenoxy)piperidin-1-ium CAS Name: (3S)-3-(2-methoxy-5-nitrophenoxy)piperidin-1-ium IUPAC Name: (3S)-3-(2-methoxy-5-nitrophenoxy)piperidin-1-ium Traditional Name: (3S)-3-(2-methoxy-5-nitro-phenoxy)piperidin-1-ium Formula: C12H17N2O4+ MolecularWeight: 253.27438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OC2CCC[NH2+]C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])O[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C12H16N2O4/c1-17-11-5-4-9(14(15)16)7-12(11)18-10-3-2-6-13-8-10/h4-5,7,10,13H,2-3,6,8H2,1H3/p+1/t10-/m0/s1