5-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-ethyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-ethyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-ethyl-N-(2-pyrrolidin-1-ium-1-ylethyl)isoxazole-3-carboxamide CAS Name: 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-ethyl-N-(2-pyrrolidin-1-ium-1-ylethyl)isoxazole-3-carboxamide Formula: C21H29ClN3O3+ MolecularWeight: 406.92626

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[NH+]1CCCC1)C(=O)C2=NOC(=C2)COC3=CC(=C(C(=C3)C)Cl)C

Isomeric SMILES

CCN(CC[NH+]1CCCC1)C(=O)C2=NOC(=C2)COC3=CC(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C21H28ClN3O3/c1-4-25(10-9-24-7-5-6-8-24)21(26)19-13-18(28-23-19)14-27-17-11-15(2)20(22)16(3)12-17/h11-13H,4-10,14H2,1-3H3/p+1