2-[[5-[(3-ethanoylphenoxy)methyl]-1,2-oxazol-3-yl]carbonyl-ethyl-amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[5-[(3-ethanoylphenoxy)methyl]-1,2-oxazol-3-yl]carbonyl-ethyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[[5-[(3-acetylphenoxy)methyl]isoxazole-3-carbonyl]-ethyl-amino]ethyl-diethyl-ammonium CAS Name: 2-[[[5-[(3-acetylphenoxy)methyl]-3-isoxazolyl]-oxomethyl]-ethylamino]ethyl-diethylammonium IUPAC Name: 2-[[5-[(3-acetylphenoxy)methyl]-1,2-oxazole-3-carbonyl]-ethylamino]ethyl-diethylazanium Traditional Name: 2-[[5-[(3-acetylphenoxy)methyl]isoxazole-3-carbonyl]-ethyl-amino]ethyl-diethyl-ammonium Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(CC)C(=O)C1=NOC(=C1)COC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CC[NH+](CC)CCN(CC)C(=O)C1=NOC(=C1)COC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C21H29N3O4/c1-5-23(6-2)11-12-24(7-3)21(26)20-14-19(28-22-20)15-27-18-10-8-9-17(13-18)16(4)25/h8-10,13-14H,5-7,11-12,15H2,1-4H3/p+1