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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C[NH3+])C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](C[NH3+])C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O3/c1-10-4-6-16(7-5-10)13(9-15)11-2-3-14(18)12(8-11)17(19)20/h2-3,8,10,13,18H,4-7,9,15H2,1H3/p+1/t13-/m1/s1