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

Systemtic Name: 1-[(1S)-1-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-3-methyl-butyl]-4-phenyl-piperazine-1,4-diium Openeye Name: 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-3-methyl-butyl]-4-phenyl-piperazine-1,4-diium CAS Name: 1-[(1S)-1-(1-tert-butyl-5-tetrazolyl)-3-methylbutyl]-4-phenylpiperazine-1,4-diium IUPAC Name: 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-phenylpiperazine-1,4-diium Traditional Name: 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-3-methyl-butyl]-4-phenyl-piperazine-1,4-diium Formula: C20H34N6+2 MolecularWeight: 358.52416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NN=NN1C(C)(C)C)[NH+]2CC[NH+](CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C1=NN=NN1C(C)(C)C)[NH+]2CC[NH+](CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H32N6/c1-16(2)15-18(19-21-22-23-26(19)20(3,4)5)25-13-11-24(12-14-25)17-9-7-6-8-10-17/h6-10,16,18H,11-15H2,1-5H3/p+2/t18-/m0/s1