3,5-dimethyl-N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,2-oxazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,2-oxazole-4-carboxamide Openeye Name: 3,5-dimethyl-N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)isoxazole-4-carboxamide CAS Name: 3,5-dimethyl-N-[(2-phenyl-3-pyrazolyl)methyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-4-isoxazolecarboxamide IUPAC Name: 3,5-dimethyl-N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,2-oxazole-4-carboxamide Traditional Name: 3,5-dimethyl-N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)isoxazole-4-carboxamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)N(CC[NH+]2CCCC2)CC3=CC=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)N(CC[NH+]2CCCC2)CC3=CC=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O2/c1-17-21(18(2)29-24-17)22(28)26(15-14-25-12-6-7-13-25)16-20-10-11-23-27(20)19-8-4-3-5-9-19/h3-5,8-11H,6-7,12-16H2,1-2H3/p+1