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

Systemtic Name: 4-[(1S)-2-azaniumyl-1-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethyl]-2-nitro-phenolate Openeye Name: 4-[(1S)-2-azaniumyl-1-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethyl]-2-nitro-phenolate CAS Name: 4-[(1S)-2-ammonio-1-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]ethyl]-2-nitrophenolate IUPAC Name: 4-[(1S)-2-azaniumyl-1-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethyl]-2-nitrophenolate Traditional Name: 4-[(1S)-2-ammonio-1-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethyl]-2-nitro-phenolate Formula: C15H25N4O3+ MolecularWeight: 309.384

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(C[NH3+])C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)[C@H](C[NH3+])C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H24N4O3/c1-17-7-5-12(6-8-17)18(2)14(10-16)11-3-4-15(20)13(9-11)19(21)22/h3-4,9,12,14,20H,5-8,10,16H2,1-2H3/p+1/t14-/m1/s1