methyl-(pyridin-3-ylmethyl)-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]azanium

Systemtic Name: methyl-(pyridin-3-ylmethyl)-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]azanium Openeye Name: methyl-(3-pyridylmethyl)-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]ammonium CAS Name: methyl-(3-pyridinylmethyl)-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]ammonium IUPAC Name: methyl-(pyridin-3-ylmethyl)-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]azanium Traditional Name: methyl-(3-pyridylmethyl)-[3-(1H-1,2,4-triazol-5-yl)benzyl]ammonium Formula: C16H18N5+ MolecularWeight: 280.34762

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN=CC=C1)CC2=CC=CC(=C2)C3=NC=NN3

Isomeric SMILES

C[NH+](CC1=CN=CC=C1)CC2=CC=CC(=C2)C3=NC=NN3

InChI

InChI=1S/C16H17N5/c1-21(11-14-5-3-7-17-9-14)10-13-4-2-6-15(8-13)16-18-12-19-20-16/h2-9,12H,10-11H2,1H3,(H,18,19,20)/p+1