N,N-dimethyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N,N-dimethyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N,N-dimethyl-1-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N,N-dimethyl-1-[(3-phenyl-5-isoxazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N,N-dimethyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N,N-dimethyl-1-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CC[NH+](CC1)CC2=CC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)C1CC[NH+](CC1)CC2=CC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C18H23N3O2/c1-20(2)18(22)15-8-10-21(11-9-15)13-16-12-17(19-23-16)14-6-4-3-5-7-14/h3-7,12,15H,8-11,13H2,1-2H3/p+1