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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=C(C=N2)C[NH2+]C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1N2C=C(C=N2)C[NH2+][C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C20H24N6O/c1-27-19-8-3-2-7-18(19)26-14-16(13-24-26)12-23-17-6-4-11-25(15-17)20-21-9-5-10-22-20/h2-3,5,7-10,13-14,17,23H,4,6,11-12,15H2,1H3/p+1/t17-/m0/s1