(3S)-1-(2-nitrophenyl)-3-phenyl-piperazin-4-ium

Systemtic Name: (3S)-1-(2-nitrophenyl)-3-phenyl-piperazin-4-ium Openeye Name: (3S)-1-(2-nitrophenyl)-3-phenyl-piperazin-4-ium CAS Name: (3S)-1-(2-nitrophenyl)-3-phenylpiperazin-4-ium IUPAC Name: (3S)-1-(2-nitrophenyl)-3-phenylpiperazin-4-ium Traditional Name: (3S)-1-(2-nitrophenyl)-3-phenyl-piperazin-4-ium Formula: C16H18N3O2+ MolecularWeight: 284.33302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH2+]1)C2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(C[C@@H]([NH2+]1)C2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O2/c20-19(21)16-9-5-4-8-15(16)18-11-10-17-14(12-18)13-6-2-1-3-7-13/h1-9,14,17H,10-12H2/p+1/t14-/m1/s1