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

Systemtic Name: 1-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-phenyl-methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-phenyl-methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(S)-(1-tert-butyl-5-tetrazolyl)-phenylmethyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-phenyl-methyl]-4-phenyl-piperazin-1-ium Formula: C22H29N6+ MolecularWeight: 377.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H28N6/c1-22(2,3)28-21(23-24-25-28)20(18-10-6-4-7-11-18)27-16-14-26(15-17-27)19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3/p+1/t20-/m0/s1