(3S)-1-(1,2-oxazol-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1,2-oxazol-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(isoxazol-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(3-isoxazolylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1,2-oxazol-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(isoxazol-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C19H22N5O2+ MolecularWeight: 352.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O2/c25-19(15-2-1-10-24(12-15)13-17-8-11-26-23-17)21-16-5-3-14(4-6-16)18-7-9-20-22-18/h3-9,11,15H,1-2,10,12-13H2,(H,20,22)(H,21,25)/p+1/t15-/m0/s1