(3S)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2-phenyloxazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2-phenyl-4-oxazolyl)methyl]-N-[3-(1-pyrazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(2-phenyloxazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C25H26N5O2+ MolecularWeight: 428.50624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=COC(=N2)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=COC(=N2)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

InChI

InChI=1S/C25H25N5O2/c31-24(27-21-10-4-11-23(15-21)30-14-6-12-26-30)20-9-5-13-29(16-20)17-22-18-32-25(28-22)19-7-2-1-3-8-19/h1-4,6-8,10-12,14-15,18,20H,5,9,13,16-17H2,(H,27,31)/p+1/t20-/m0/s1