4-[(1R)-2-azaniumyl-1-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-2-nitro-phenolate

Systemtic Name: 4-[(1R)-2-azaniumyl-1-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-2-nitro-phenolate Openeye Name: 4-[(1R)-2-azaniumyl-1-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-2-nitro-phenolate CAS Name: 4-[(1R)-2-ammonio-1-[(3S)-3-methyl-1-piperidin-1-iumyl]ethyl]-2-nitrophenolate IUPAC Name: 4-[(1R)-2-azaniumyl-1-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-2-nitrophenolate Traditional Name: 4-[(1R)-2-ammonio-1-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-2-nitro-phenolate Formula: C14H22N3O3+ MolecularWeight: 280.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C[NH3+])C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C[NH3+])C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O3/c1-10-3-2-6-16(9-10)13(8-15)11-4-5-14(18)12(7-11)17(19)20/h4-5,7,10,13,18H,2-3,6,8-9,15H2,1H3/p+1/t10-,13-/m0/s1