5-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-methyl-N-[(3S)-1-methylpyrrolidin-1-ium-3-yl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-methyl-N-[(3S)-1-methylpyrrolidin-1-ium-3-yl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-methyl-N-[(3S)-1-methylpyrrolidin-1-ium-3-yl]isoxazole-3-carboxamide CAS Name: 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(3S)-1-methyl-3-pyrrolidin-1-iumyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(3S)-1-methylpyrrolidin-1-ium-3-yl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-methyl-N-[(3S)-1-methylpyrrolidin-1-ium-3-yl]isoxazole-3-carboxamide Formula: C19H25ClN3O3+ MolecularWeight: 378.8731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC2=CC(=NO2)C(=O)N(C)C3CC[NH+](C3)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC2=CC(=NO2)C(=O)N(C)[C@H]3CC[NH+](C3)C

InChI

InChI=1S/C19H24ClN3O3/c1-12-7-15(8-13(2)18(12)20)25-11-16-9-17(21-26-16)19(24)23(4)14-5-6-22(3)10-14/h7-9,14H,5-6,10-11H2,1-4H3/p+1/t14-/m0/s1