3-phenyl-N-[[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methyl]propanamide

Systemtic Name: 3-phenyl-N-[[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methyl]propanamide Openeye Name: 3-phenyl-N-[[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methyl]propanamide CAS Name: 3-phenyl-N-[[(3R)-1-[[4-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]methyl]propanamide IUPAC Name: 3-phenyl-N-[[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methyl]propanamide Traditional Name: 3-phenyl-N-[[(3R)-1-(4-pyrazol-1-ylbenzyl)piperidin-1-ium-3-yl]methyl]propionamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)N3C=CC=N3)CNC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)N3C=CC=N3)CNC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O/c30-25(14-11-21-6-2-1-3-7-21)26-18-23-8-4-16-28(20-23)19-22-9-12-24(13-10-22)29-17-5-15-27-29/h1-3,5-7,9-10,12-13,15,17,23H,4,8,11,14,16,18-20H2,(H,26,30)/p+1/t23-/m1/s1