2-(azocan-1-ium-1-yl)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone

Systemtic Name: 2-(azocan-1-ium-1-yl)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone Openeye Name: 2-(azocan-1-ium-1-yl)-1-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]ethanone CAS Name: 2-(1-azocan-1-iumyl)-1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(azocan-1-ium-1-yl)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone Traditional Name: 2-(azocan-1-ium-1-yl)-1-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]ethanone Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)C[NH+]3CCCCCCC3

Isomeric SMILES

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)C[NH+]3CCCCCCC3

InChI

InChI=1S/C19H27N3O2/c1-14-11-17(16(3)22(14)19-12-15(2)24-20-19)18(23)13-21-9-7-5-4-6-8-10-21/h11-12H,4-10,13H2,1-3H3/p+1