(3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(3-hydroxybenzyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=CC=C2)O)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=CC=C2)O)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

InChI

InChI=1S/C22H24N4O2/c27-20-5-1-3-16(13-20)14-26-12-2-4-18(15-26)22(28)24-19-8-6-17(7-9-19)21-10-11-23-25-21/h1,3,5-11,13,18,27H,2,4,12,14-15H2,(H,23,25)(H,24,28)/p+1/t18-/m0/s1