(4-pyrazol-1-ylphenyl)methyl-[1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]azanium

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl-[1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]azanium Openeye Name: (4-pyrazol-1-ylphenyl)methyl-[1-[4-(3-pyridylmethylcarbamoyl)phenyl]-4-piperidyl]ammonium CAS Name: [1-[4-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-4-piperidinyl]-[[4-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: (4-pyrazol-1-ylphenyl)methyl-[1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]azanium Traditional Name: (4-pyrazol-1-ylbenzyl)-[1-[4-(3-pyridylmethylcarbamoyl)phenyl]-4-piperidyl]ammonium Formula: C28H31N6O+ MolecularWeight: 467.58534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=CC=C(C=C2)N3C=CC=N3)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=CC=C(C=C2)N3C=CC=N3)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C28H30N6O/c35-28(31-21-23-3-1-14-29-19-23)24-6-10-26(11-7-24)33-17-12-25(13-18-33)30-20-22-4-8-27(9-5-22)34-16-2-15-32-34/h1-11,14-16,19,25,30H,12-13,17-18,20-21H2,(H,31,35)/p+1