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

Systemtic Name: 1-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-pyridin-4-yl-methyl]-4-cyclohexyl-piperazine-1,4-diium Openeye Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-(4-pyridyl)methyl]-4-cyclohexyl-piperazine-1,4-diium CAS Name: 1-[(S)-(1-tert-butyl-5-tetrazolyl)-pyridin-4-ylmethyl]-4-cyclohexylpiperazine-1,4-diium IUPAC Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-pyridin-4-ylmethyl]-4-cyclohexylpiperazine-1,4-diium Traditional Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-(4-pyridyl)methyl]-4-cyclohexyl-piperazine-1,4-diium Formula: C21H35N7+2 MolecularWeight: 385.5495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CC=NC=C2)[NH+]3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)[C@H](C2=CC=NC=C2)[NH+]3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C21H33N7/c1-21(2,3)28-20(23-24-25-28)19(17-9-11-22-12-10-17)27-15-13-26(14-16-27)18-7-5-4-6-8-18/h9-12,18-19H,4-8,13-16H2,1-3H3/p+2/t19-/m0/s1