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

Systemtic Name: 1-[(1R)-2-methyl-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methyl-propyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(1R)-2-methyl-1-[1-(phenylmethyl)-5-tetrazolyl]propyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methyl-propyl]-4-(4-nitrophenyl)piperazin-1-ium Formula: C22H28N7O2+ MolecularWeight: 422.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NN=NN1CC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@H](C1=NN=NN1CC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N7O2/c1-17(2)21(22-23-24-25-28(22)16-18-6-4-3-5-7-18)27-14-12-26(13-15-27)19-8-10-20(11-9-19)29(30)31/h3-11,17,21H,12-16H2,1-2H3/p+1/t21-/m1/s1