4-[(1S)-2-azaniumyl-1-[tert-butyl(ethyl)azaniumyl]ethyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(1S)-2-azaniumyl-1-[tert-butyl(ethyl)azaniumyl]ethyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(1S)-2-azaniumyl-1-[tert-butyl(ethyl)ammonio]ethyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(1S)-2-ammonio-1-[tert-butyl(ethyl)ammonio]ethyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(1S)-2-azaniumyl-1-[tert-butyl(ethyl)azaniumyl]ethyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(1S)-2-ammonio-1-[tert-butyl(ethyl)ammonio]ethyl]-2-methoxy-6-nitro-phenolate Formula: C15H26N3O4+ MolecularWeight: 312.38464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3O4/c1-6-17(15(2,3)4)12(9-16)10-7-11(18(20)21)14(19)13(8-10)22-5/h7-8,12,19H,6,9,16H2,1-5H3/p+1/t12-/m1/s1