[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C20H25N6O+ MolecularWeight: 365.4521

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)C[NH2+]C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)C[NH2+][C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C20H24N6O/c1-27-18-7-5-15(6-8-18)19-16(13-24-25-19)12-23-17-4-2-11-26(14-17)20-21-9-3-10-22-20/h3,5-10,13,17,23H,2,4,11-12,14H2,1H3,(H,24,25)/p+1/t17-/m0/s1