[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-[(1S)-1-pyrimidin-4-ylethyl]azanium

Systemtic Name: [3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-[(1S)-1-pyrimidin-4-ylethyl]azanium Openeye Name: [3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-[(1S)-1-pyrimidin-4-ylethyl]ammonium CAS Name: [3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl-[(1S)-1-(4-pyrimidinyl)ethyl]ammonium IUPAC Name: [3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl-[(1S)-1-pyrimidin-4-ylethyl]azanium Traditional Name: [3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-[(1S)-1-(4-pyrimidyl)ethyl]ammonium Formula: C23H30N5+ MolecularWeight: 376.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NC=C1)[NH2+]CC2=CN(N=C2C3=CC=C(C=C3)C4CCCCC4)C

Isomeric SMILES

C[C@@H](C1=NC=NC=C1)[NH2+]CC2=CN(N=C2C3=CC=C(C=C3)C4CCCCC4)C

InChI

InChI=1S/C23H29N5/c1-17(22-12-13-24-16-26-22)25-14-21-15-28(2)27-23(21)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-13,15-18,25H,3-7,14H2,1-2H3/p+1/t17-/m0/s1