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

Systemtic Name: (3S)-3-[(2-methoxy-5-nitro-phenoxy)methyl]piperidin-1-ium Openeye Name: (3S)-3-[(2-methoxy-5-nitro-phenoxy)methyl]piperidin-1-ium CAS Name: (3S)-3-[(2-methoxy-5-nitrophenoxy)methyl]piperidin-1-ium IUPAC Name: (3S)-3-[(2-methoxy-5-nitrophenoxy)methyl]piperidin-1-ium Traditional Name: (3S)-3-[(2-methoxy-5-nitro-phenoxy)methyl]piperidin-1-ium Formula: C13H19N2O4+ MolecularWeight: 267.30096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC2CCC[NH2+]C2

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-18-12-5-4-11(15(16)17)7-13(12)19-9-10-3-2-6-14-8-10/h4-5,7,10,14H,2-3,6,8-9H2,1H3/p+1/t10-/m0/s1