[1-[4-(2-phenoxyethanoylamino)phenyl]piperidin-4-yl]-[(3-pyrazol-1-ylphenyl)methyl]azanium

Systemtic Name: [1-[4-(2-phenoxyethanoylamino)phenyl]piperidin-4-yl]-[(3-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: [1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]-[(3-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: [1-[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]-4-piperidinyl]-[[3-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [1-[4-[(2-phenoxyacetyl)amino]phenyl]piperidin-4-yl]-[(3-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: [1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]-(3-pyrazol-1-ylbenzyl)ammonium Formula: C29H32N5O2+ MolecularWeight: 482.59668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=CC(=CC=C2)N3C=CC=N3)C4=CC=C(C=C4)NC(=O)COC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=CC(=CC=C2)N3C=CC=N3)C4=CC=C(C=C4)NC(=O)COC5=CC=CC=C5

InChI

InChI=1S/C29H31N5O2/c35-29(22-36-28-8-2-1-3-9-28)32-25-10-12-26(13-11-25)33-18-14-24(15-19-33)30-21-23-6-4-7-27(20-23)34-17-5-16-31-34/h1-13,16-17,20,24,30H,14-15,18-19,21-22H2,(H,32,35)/p+1