methyl-[(3S)-1-(2-pyrazol-1-ylphenyl)carbonylpiperidin-3-yl]-(2-pyridin-2-ylethyl)azanium

Systemtic Name: methyl-[(3S)-1-(2-pyrazol-1-ylphenyl)carbonylpiperidin-3-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: methyl-[(3S)-1-(2-pyrazol-1-ylbenzoyl)-3-piperidyl]-[2-(2-pyridyl)ethyl]ammonium CAS Name: methyl-[(3S)-1-[oxo-[2-(1-pyrazolyl)phenyl]methyl]-3-piperidinyl]-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: methyl-[(3S)-1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]-(2-pyridin-2-ylethyl)azanium Traditional Name: methyl-[(3S)-1-(2-pyrazol-1-ylbenzoyl)-3-piperidyl]-[2-(2-pyridyl)ethyl]ammonium Formula: C23H28N5O+ MolecularWeight: 390.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CCCN(C2)C(=O)C3=CC=CC=C3N4C=CC=N4

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@H]2CCCN(C2)C(=O)C3=CC=CC=C3N4C=CC=N4

InChI

InChI=1S/C23H27N5O/c1-26(17-12-19-8-4-5-13-24-19)20-9-6-15-27(18-20)23(29)21-10-2-3-11-22(21)28-16-7-14-25-28/h2-5,7-8,10-11,13-14,16,20H,6,9,12,15,17-18H2,1H3/p+1/t20-/m0/s1