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

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(5-methyl-1,2-oxazol-4-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(5-methylisoxazol-4-yl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(5-methyl-4-isoxazolyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(5-methyl-1,2-oxazol-4-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(5-methylisoxazol-4-yl)methanone Formula: C10H16N3O2+ MolecularWeight: 210.25294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NO1)C(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CC1=C(C=NO1)C(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C10H15N3O2/c1-8-9(7-12-15-8)10(14)13-5-2-3-11-4-6-13/h7,11H,2-6H2,1H3/p+1