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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CCCN(C2)C(=O)C3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@H]2CCCN(C2)C(=O)C3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C23H27N5O/c1-26(16-11-20-8-2-3-12-24-20)22-10-5-14-27(18-22)23(29)19-7-4-9-21(17-19)28-15-6-13-25-28/h2-4,6-9,12-13,15,17,22H,5,10-11,14,16,18H2,1H3/p+1/t22-/m0/s1