4-chloranyl-1-[4-[2-(4,4-dimethyl-5H-1,2-oxazol-2-ium-2-yl)propan-2-yl]phenyl]butan-1-one

Systemtic Name: 4-chloranyl-1-[4-[2-(4,4-dimethyl-5H-1,2-oxazol-2-ium-2-yl)propan-2-yl]phenyl]butan-1-one Openeye Name: 4-chloro-1-[4-[1-(4,4-dimethyl-5H-isoxazol-2-ium-2-yl)-1-methyl-ethyl]phenyl]butan-1-one CAS Name: 4-chloro-1-[4-[2-(4,4-dimethyl-5H-isoxazol-2-ium-2-yl)propan-2-yl]phenyl]-1-butanone IUPAC Name: 4-chloro-1-[4-[2-(4,4-dimethyl-5H-1,2-oxazol-2-ium-2-yl)propan-2-yl]phenyl]butan-1-one Traditional Name: 4-chloro-1-[4-[1-(4,4-dimethyl-2-isoxazolin-2-ium-2-yl)-1-methyl-ethyl]phenyl]butan-1-one Formula: C18H25ClNO2+ MolecularWeight: 322.8496

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CO[N+](=C1)C(C)(C)C2=CC=C(C=C2)C(=O)CCCCl)C

Isomeric SMILES

CC1(CO[N+](=C1)C(C)(C)C2=CC=C(C=C2)C(=O)CCCCl)C

InChI

InChI=1S/C18H25ClNO2/c1-17(2)12-20(22-13-17)18(3,4)15-9-7-14(8-10-15)16(21)6-5-11-19/h7-10,12H,5-6,11,13H2,1-4H3/q+1