2-(4,6-dimethylpyrimidin-2-yl)ethyl-[1-(3-pyrazol-1-ylphenyl)piperidin-4-yl]azanium

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)ethyl-[1-(3-pyrazol-1-ylphenyl)piperidin-4-yl]azanium Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)ethyl-[1-(3-pyrazol-1-ylphenyl)-4-piperidyl]ammonium CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)ethyl-[1-[3-(1-pyrazolyl)phenyl]-4-piperidinyl]ammonium IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)ethyl-[1-(3-pyrazol-1-ylphenyl)piperidin-4-yl]azanium Traditional Name: 2-(4,6-dimethylpyrimidin-2-yl)ethyl-[1-(3-pyrazol-1-ylphenyl)-4-piperidyl]ammonium Formula: C22H29N6+ MolecularWeight: 377.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)CC[NH2+]C2CCN(CC2)C3=CC=CC(=C3)N4C=CC=N4)C

Isomeric SMILES

CC1=CC(=NC(=N1)CC[NH2+]C2CCN(CC2)C3=CC=CC(=C3)N4C=CC=N4)C

InChI

InChI=1S/C22H28N6/c1-17-15-18(2)26-22(25-17)7-11-23-19-8-13-27(14-9-19)20-5-3-6-21(16-20)28-12-4-10-24-28/h3-6,10,12,15-16,19,23H,7-9,11,13-14H2,1-2H3/p+1