4-[4-(3-methyl-1,2-oxazol-5-yl)pyridin-1-ium-1-yl]-1-phenyl-butan-1-one perchlorate

Systemtic Name: 4-[4-(3-methyl-1,2-oxazol-5-yl)pyridin-1-ium-1-yl]-1-phenyl-butan-1-one perchlorate Openeye Name: 4-[4-(3-methylisoxazol-5-yl)pyridin-1-ium-1-yl]-1-phenyl-butan-1-one perchlorate CAS Name: 4-[4-(3-methyl-5-isoxazolyl)-1-pyridin-1-iumyl]-1-phenyl-1-butanone perchlorate IUPAC Name: 4-[4-(3-methyl-1,2-oxazol-5-yl)pyridin-1-ium-1-yl]-1-phenylbutan-1-one perchlorate Traditional Name: 4-[4-(3-methylisoxazol-5-yl)pyridin-1-ium-1-yl]-1-phenyl-butan-1-one perchlorate Formula: C19H19ClN2O6 MolecularWeight: 406.81696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2=CC=[N+](C=C2)CCCC(=O)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=NOC(=C1)C2=CC=[N+](C=C2)CCCC(=O)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C19H19N2O2.ClHO4/c1-15-14-19(23-20-15)17-9-12-21(13-10-17)11-5-8-18(22)16-6-3-2-4-7-16;2-1(3,4)5/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3;(H,2,3,4,5)/q+1;/p-1