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

Systemtic Name: 4-[(1S)-2-azaniumyl-1-[ethyl-(phenylmethyl)amino]ethyl]-2-nitro-phenolate Openeye Name: 4-[(1S)-2-azaniumyl-1-[benzyl(ethyl)amino]ethyl]-2-nitro-phenolate CAS Name: 4-[(1S)-2-ammonio-1-[ethyl-(phenylmethyl)amino]ethyl]-2-nitrophenolate IUPAC Name: 4-[(1S)-2-azaniumyl-1-[benzyl(ethyl)amino]ethyl]-2-nitrophenolate Traditional Name: 4-[(1S)-2-ammonio-1-[benzyl(ethyl)amino]ethyl]-2-nitro-phenolate Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3/c1-2-19(12-13-6-4-3-5-7-13)16(11-18)14-8-9-17(21)15(10-14)20(22)23/h3-10,16,21H,2,11-12,18H2,1H3/t16-/m1/s1