[1-[4-(2-phenoxyethanoylamino)phenyl]piperidin-4-yl]-(2-pyrazol-1-ylethyl)azanium

Systemtic Name: [1-[4-(2-phenoxyethanoylamino)phenyl]piperidin-4-yl]-(2-pyrazol-1-ylethyl)azanium Openeye Name: [1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]-(2-pyrazol-1-ylethyl)ammonium CAS Name: [1-[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]-4-piperidinyl]-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [1-[4-[(2-phenoxyacetyl)amino]phenyl]piperidin-4-yl]-(2-pyrazol-1-ylethyl)azanium Traditional Name: [1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]-(2-pyrazol-1-ylethyl)ammonium Formula: C24H30N5O2+ MolecularWeight: 420.5273

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CCN2C=CC=N2)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]CCN2C=CC=N2)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O2/c30-24(19-31-23-5-2-1-3-6-23)27-21-7-9-22(10-8-21)28-16-11-20(12-17-28)25-14-18-29-15-4-13-26-29/h1-10,13,15,20,25H,11-12,14,16-19H2,(H,27,30)/p+1