[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium

Systemtic Name: [(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Openeye Name: [(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ammonium CAS Name: [(1S)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: [(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Traditional Name: [(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]ammonium Formula: C21H23N6+ MolecularWeight: 359.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(C)[NH2+]CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)[NH2+]CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C21H22N6/c1-16(20-15-25-27(17(20)2)18-8-4-3-5-9-18)24-14-19-10-6-13-26(19)21-22-11-7-12-23-21/h3-13,15-16,24H,14H2,1-2H3/p+1/t16-/m0/s1