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

Systemtic Name: 1-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-pyridin-3-yl-methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-(3-pyridyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(S)-(1-tert-butyl-5-tetrazolyl)-(3-pyridinyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-(3-pyridyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C20H28N8+2 MolecularWeight: 380.48992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)[C@H](C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H26N8/c1-20(2,3)28-19(23-24-25-28)18(16-7-6-9-21-15-16)27-13-11-26(12-14-27)17-8-4-5-10-22-17/h4-10,15,18H,11-14H2,1-3H3/p+2/t18-/m0/s1