(3S)-1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3S)-1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-(4,5-dimethoxy-2-nitro-benzyl)piperidin-1-ium-3-ol Formula: C14H21N2O5+ MolecularWeight: 297.32694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CCCC(C2)O)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O5/c1-20-13-6-10(8-15-5-3-4-11(17)9-15)12(16(18)19)7-14(13)21-2/h6-7,11,17H,3-5,8-9H2,1-2H3/p+1/t11-/m0/s1