4-[(1S)-2-azaniumyl-1-[methyl-(phenylmethyl)amino]ethyl]-2-nitro-phenolate

Systemtic Name: 4-[(1S)-2-azaniumyl-1-[methyl-(phenylmethyl)amino]ethyl]-2-nitro-phenolate Openeye Name: 4-[(1S)-2-azaniumyl-1-[benzyl(methyl)amino]ethyl]-2-nitro-phenolate CAS Name: 4-[(1S)-2-ammonio-1-[methyl-(phenylmethyl)amino]ethyl]-2-nitrophenolate IUPAC Name: 4-[(1S)-2-azaniumyl-1-[benzyl(methyl)amino]ethyl]-2-nitrophenolate Traditional Name: 4-[(1S)-2-ammonio-1-[benzyl(methyl)amino]ethyl]-2-nitro-phenolate Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(C[NH3+])C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)[C@H](C[NH3+])C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O3/c1-18(11-12-5-3-2-4-6-12)15(10-17)13-7-8-16(20)14(9-13)19(21)22/h2-9,15,20H,10-11,17H2,1H3/t15-/m1/s1