1-(2-azanyl-3-phenyl-propanoyl)-N-[[3-(1H-1,2,4-triazol-2-ium-2-yl)pyridin-2-yl]methyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-azanyl-3-phenyl-propanoyl)-N-[[3-(1H-1,2,4-triazol-2-ium-2-yl)pyridin-2-yl]methyl]pyrrolidine-2-carboxamide Openeye Name: 1-(2-amino-3-phenyl-propanoyl)-N-[[3-(1H-1,2,4-triazol-2-ium-2-yl)-2-pyridyl]methyl]pyrrolidine-2-carboxamide CAS Name: 1-(2-amino-1-oxo-3-phenylpropyl)-N-[[3-(1H-1,2,4-triazol-2-ium-2-yl)-2-pyridinyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-amino-3-phenylpropanoyl)-N-[[3-(1H-1,2,4-triazol-2-ium-2-yl)pyridin-2-yl]methyl]pyrrolidine-2-carboxamide Traditional Name: 1-phenylalanyl-N-[[3-(1H-1,2,4-triazol-2-ium-2-yl)-2-pyridyl]methyl]pyrrolidine-2-carboxamide Formula: C22H26N7O2+ MolecularWeight: 420.48754

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)NCC3=C(C=CC=N3)[N+]4=CN=CN4

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)NCC3=C(C=CC=N3)[N+]4=CN=CN4

InChI

InChI=1S/C22H25N7O2/c23-17(12-16-6-2-1-3-7-16)22(31)28-11-5-9-20(28)21(30)26-13-18-19(8-4-10-25-18)29-15-24-14-27-29/h1-4,6-8,10,14-15,17,20H,5,9,11-13,23H2,(H,26,30)/p+1