1-(4-nitrophenyl)-4-(3-phenylprop-2-ynyl)piperazin-4-ium

Systemtic Name: 1-(4-nitrophenyl)-4-(3-phenylprop-2-ynyl)piperazin-4-ium Openeye Name: 1-(4-nitrophenyl)-4-(3-phenylprop-2-ynyl)piperazin-4-ium CAS Name: 1-(4-nitrophenyl)-4-(3-phenylprop-2-ynyl)piperazin-4-ium IUPAC Name: 1-(4-nitrophenyl)-4-(3-phenylprop-2-ynyl)piperazin-4-ium Traditional Name: 1-(4-nitrophenyl)-4-(3-phenylprop-2-ynyl)piperazin-4-ium Formula: C19H20N3O2+ MolecularWeight: 322.381

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC#CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC#CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O2/c23-22(24)19-10-8-18(9-11-19)21-15-13-20(14-16-21)12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,12-16H2/p+1