1-(4-nitrophenyl)-4-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-nitrophenyl)-4-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-(4-nitrophenyl)-4-[(1-phenethyltetrazol-5-yl)methyl]piperazin-4-ium CAS Name: 1-(4-nitrophenyl)-4-[(1-phenethyl-5-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-nitrophenyl)-4-[(1-phenethyltetrazol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-(4-nitrophenyl)-4-[(1-phenethyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C20H24N7O2+ MolecularWeight: 394.45026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2CCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2CCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N7O2/c28-27(29)19-8-6-18(7-9-19)25-14-12-24(13-15-25)16-20-21-22-23-26(20)11-10-17-4-2-1-3-5-17/h1-9H,10-16H2/p+1