(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (3-ethyl-5-methyl-isoxazol-4-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (3-ethyl-5-methyl-4-isoxazolyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (3-ethyl-5-methyl-isoxazol-4-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C13H22N3O2+ MolecularWeight: 252.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)N2CCC[NH+](CC2)C)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)N2CCC[NH+](CC2)C)C

InChI

InChI=1S/C13H21N3O2/c1-4-11-12(10(2)18-14-11)13(17)16-7-5-6-15(3)8-9-16/h4-9H2,1-3H3/p+1