(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium

Systemtic Name: (5-phenyl-1,2,3,4-tetrazol-2-yl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium Openeye Name: (5-phenyltetrazol-2-yl)methyl-(3-pyridylmethyl)-(4-pyridylmethyl)ammonium CAS Name: (5-phenyl-2-tetrazolyl)methyl-(3-pyridinylmethyl)-(pyridin-4-ylmethyl)ammonium IUPAC Name: (5-phenyltetrazol-2-yl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium Traditional Name: (5-phenyltetrazol-2-yl)methyl-(3-pyridylmethyl)-(4-pyridylmethyl)ammonium Formula: C20H20N7+ MolecularWeight: 358.4197

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(N=N2)C[NH+](CC3=CC=NC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(N=N2)C[NH+](CC3=CC=NC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C20H19N7/c1-2-6-19(7-3-1)20-23-25-27(24-20)16-26(14-17-8-11-21-12-9-17)15-18-5-4-10-22-13-18/h1-13H,14-16H2/p+1