(2S)-2-(4-nitrophenyl)-1,4-diazepan-4-ium

Systemtic Name: (2S)-2-(4-nitrophenyl)-1,4-diazepan-4-ium Openeye Name: (2S)-2-(4-nitrophenyl)-1,4-diazepan-4-ium CAS Name: (2S)-2-(4-nitrophenyl)-1,4-diazepan-4-ium IUPAC Name: (2S)-2-(4-nitrophenyl)-1,4-diazepan-4-ium Traditional Name: (2S)-2-(4-nitrophenyl)-1,4-diazepan-4-ium Formula: C11H16N3O2+ MolecularWeight: 222.26364

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC(NC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1C[NH2+]C[C@@H](NC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O2/c15-14(16)10-4-2-9(3-5-10)11-8-12-6-1-7-13-11/h2-5,11-13H,1,6-8H2/p+1/t11-/m1/s1