3-(1-phenyl-1-pyridin-2-yl-1,2,3,4-tetrazol-1-ium-5-yl)-N,N-di(propan-2-yl)propan-1-amine

Systemtic Name: 3-(1-phenyl-1-pyridin-2-yl-1,2,3,4-tetrazol-1-ium-5-yl)-N,N-di(propan-2-yl)propan-1-amine Openeye Name: N,N-diisopropyl-3-[1-phenyl-1-(2-pyridyl)tetrazol-1-ium-5-yl]propan-1-amine CAS Name: 3-[1-phenyl-1-(2-pyridinyl)-5-tetrazol-1-iumyl]-N,N-di(propan-2-yl)-1-propanamine IUPAC Name: 3-(1-phenyl-1-pyridin-2-yltetrazol-1-ium-5-yl)-N,N-di(propan-2-yl)propan-1-amine Traditional Name: diisopropyl-[3-[1-phenyl-1-(2-pyridyl)tetrazol-1-ium-5-yl]propyl]amine Formula: C21H29N6+ MolecularWeight: 365.49516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCC1=NN=N[N+]1(C2=CC=CC=C2)C3=CC=CC=N3)C(C)C

Isomeric SMILES

CC(C)N(CCCC1=NN=N[N+]1(C2=CC=CC=C2)C3=CC=CC=N3)C(C)C

InChI

InChI=1S/C21H29N6/c1-17(2)26(18(3)4)16-10-14-21-23-24-25-27(21,19-11-6-5-7-12-19)20-13-8-9-15-22-20/h5-9,11-13,15,17-18H,10,14,16H2,1-4H3/q+1