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

Systemtic Name: phenethyl-[(5-phenyl-2H-1,2,3-triazol-4-yl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: phenethyl-[(5-phenyl-2H-triazol-4-yl)methyl]-(4-pyridylmethyl)ammonium CAS Name: phenethyl-[(5-phenyl-2H-triazol-4-yl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: phenethyl-[(5-phenyl-2H-triazol-4-yl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: phenethyl-[(5-phenyl-2H-triazol-4-yl)methyl]-(4-pyridylmethyl)ammonium Formula: C23H24N5+ MolecularWeight: 370.47016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH+](CC2=CC=NC=C2)CC3=NNN=C3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC[NH+](CC2=CC=NC=C2)CC3=NNN=C3C4=CC=CC=C4

InChI

InChI=1S/C23H23N5/c1-3-7-19(8-4-1)13-16-28(17-20-11-14-24-15-12-20)18-22-23(26-27-25-22)21-9-5-2-6-10-21/h1-12,14-15H,13,16-18H2,(H,25,26,27)/p+1