1-(4-nitrophenyl)-4-[(3R)-3-phenylbutyl]piperazin-4-ium

Systemtic Name: 1-(4-nitrophenyl)-4-[(3R)-3-phenylbutyl]piperazin-4-ium Openeye Name: 1-(4-nitrophenyl)-4-[(3R)-3-phenylbutyl]piperazin-4-ium CAS Name: 1-(4-nitrophenyl)-4-[(3R)-3-phenylbutyl]piperazin-4-ium IUPAC Name: 1-(4-nitrophenyl)-4-[(3R)-3-phenylbutyl]piperazin-4-ium Traditional Name: 1-(4-nitrophenyl)-4-[(3R)-3-phenylbutyl]piperazin-4-ium Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2/c1-17(18-5-3-2-4-6-18)11-12-21-13-15-22(16-14-21)19-7-9-20(10-8-19)23(24)25/h2-10,17H,11-16H2,1H3/p+1/t17-/m1/s1