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

Systemtic Name: (3S)-3-(2-methoxy-5-nitro-phenoxy)pyrrolidin-1-ium Openeye Name: (3S)-3-(2-methoxy-5-nitro-phenoxy)pyrrolidin-1-ium CAS Name: (3S)-3-(2-methoxy-5-nitrophenoxy)pyrrolidin-1-ium IUPAC Name: (3S)-3-(2-methoxy-5-nitrophenoxy)pyrrolidin-1-ium Traditional Name: (3S)-3-(2-methoxy-5-nitro-phenoxy)pyrrolidin-1-ium Formula: C11H15N2O4+ MolecularWeight: 239.2478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OC2CC[NH2+]C2

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O4/c1-16-10-3-2-8(13(14)15)6-11(10)17-9-4-5-12-7-9/h2-3,6,9,12H,4-5,7H2,1H3/p+1/t9-/m0/s1