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

Systemtic Name: 1-[(S)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)-phenyl-methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(S)-(1-phenethyltetrazol-5-yl)-phenyl-methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(S)-(1-phenethyl-5-tetrazolyl)-phenylmethyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(S)-(1-phenethyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[(S)-(1-phenethyltetrazol-5-yl)-phenyl-methyl]-4-phenyl-piperazin-1-ium Formula: C26H29N6+ MolecularWeight: 425.54866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=NN=NN3CCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](C2=CC=CC=C2)C3=NN=NN3CCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H28N6/c1-4-10-22(11-5-1)16-17-32-26(27-28-29-32)25(23-12-6-2-7-13-23)31-20-18-30(19-21-31)24-14-8-3-9-15-24/h1-15,25H,16-21H2/p+1/t25-/m0/s1