methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-[(1R)-1-pyrimidin-4-ylethyl]azanium

Systemtic Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-[(1R)-1-pyrimidin-4-ylethyl]azanium Openeye Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-[(1R)-1-pyrimidin-4-ylethyl]ammonium CAS Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-[(1R)-1-(4-pyrimidinyl)ethyl]ammonium IUPAC Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-[(1R)-1-pyrimidin-4-ylethyl]azanium Traditional Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-[(1R)-1-(4-pyrimidyl)ethyl]ammonium Formula: C24H26N5O+ MolecularWeight: 400.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NC=C1)[NH+](C)CC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

C[C@H](C1=NC=NC=C1)[NH+](C)CC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C24H25N5O/c1-18(23-13-14-25-17-26-23)28(2)15-20-16-29(3)27-24(20)19-9-11-22(12-10-19)30-21-7-5-4-6-8-21/h4-14,16-18H,15H2,1-3H3/p+1/t18-/m1/s1