4-[(1R)-2-azaniumyl-1-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(1R)-2-azaniumyl-1-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(1R)-2-azaniumyl-1-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(1R)-2-ammonio-1-[(2S)-2-methyl-1-piperidin-1-iumyl]ethyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(1R)-2-azaniumyl-1-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(1R)-2-ammonio-1-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]-2-methoxy-6-nitro-phenolate Formula: C15H24N3O4+ MolecularWeight: 310.36876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(C[NH3+])C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1[C@@H](C[NH3+])C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H23N3O4/c1-10-5-3-4-6-17(10)13(9-16)11-7-12(18(20)21)15(19)14(8-11)22-2/h7-8,10,13,19H,3-6,9,16H2,1-2H3/p+1/t10-,13-/m0/s1