[3-(6-cyclopropyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium

Systemtic Name: [3-(6-cyclopropyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium Openeye Name: [3-(6-cyclopropyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-[(1-isopropylpyrazol-4-yl)methyl]-methyl-ammonium CAS Name: [3-(6-cyclopropyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(1-propan-2-yl-4-pyrazolyl)methyl]ammonium IUPAC Name: [3-(6-cyclopropyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium Traditional Name: [3-(6-cyclopropyl-4-keto-1H-pyrimidin-2-yl)benzyl]-[(1-isopropylpyrazol-4-yl)methyl]-methyl-ammonium Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+](C)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CC4

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+](C)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CC4

InChI

InChI=1S/C22H27N5O/c1-15(2)27-14-17(11-23-27)13-26(3)12-16-5-4-6-19(9-16)22-24-20(18-7-8-18)10-21(28)25-22/h4-6,9-11,14-15,18H,7-8,12-13H2,1-3H3,(H,24,25,28)/p+1