(2-phenoxypyridin-3-yl)methyl-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium

Systemtic Name: (2-phenoxypyridin-3-yl)methyl-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Openeye Name: (2-phenoxy-3-pyridyl)methyl-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ammonium CAS Name: (2-phenoxy-3-pyridinyl)methyl-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (2-phenoxypyridin-3-yl)methyl-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Traditional Name: (2-phenoxy-3-pyridyl)methyl-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]ammonium Formula: C21H20N5O+ MolecularWeight: 358.4164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=CC=N2)C[NH2+]CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=CC=N2)C[NH2+]CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C21H19N5O/c1-2-9-19(10-3-1)27-20-17(7-4-11-23-20)15-22-16-18-8-5-14-26(18)21-24-12-6-13-25-21/h1-14,22H,15-16H2/p+1