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

Systemtic Name: 1-[(1S)-1-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)butyl]-4-phenyl-piperazine-1,4-diium Openeye Name: 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-phenyl-piperazine-1,4-diium CAS Name: 1-[(1S)-1-(1-tert-butyl-5-tetrazolyl)butyl]-4-phenylpiperazine-1,4-diium IUPAC Name: 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine-1,4-diium Traditional Name: 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-phenyl-piperazine-1,4-diium Formula: C19H32N6+2 MolecularWeight: 344.49758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N6/c1-5-9-17(18-20-21-22-25(18)19(2,3)4)24-14-12-23(13-15-24)16-10-7-6-8-11-16/h6-8,10-11,17H,5,9,12-15H2,1-4H3/p+2/t17-/m0/s1