4-chloranyl-1-[2-[(4-methoxyphenyl)methyl]-1-oxidanidyl-pyrazol-1-ium-3-yl]butan-1-one

Systemtic Name: 4-chloranyl-1-[2-[(4-methoxyphenyl)methyl]-1-oxidanidyl-pyrazol-1-ium-3-yl]butan-1-one Openeye Name: 4-chloro-1-[2-[(4-methoxyphenyl)methyl]-1-oxido-pyrazol-1-ium-3-yl]butan-1-one CAS Name: 4-chloro-1-[2-[(4-methoxyphenyl)methyl]-1-oxido-3-pyrazol-1-iumyl]-1-butanone IUPAC Name: 4-chloro-1-[2-[(4-methoxyphenyl)methyl]-1-oxidopyrazol-1-ium-3-yl]butan-1-one Traditional Name: 4-chloro-1-(1-oxido-2-p-anisyl-pyrazol-1-ium-3-yl)butan-1-one Formula: C15H17ClN2O3 MolecularWeight: 308.76008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=CC=[N+]2[O-])C(=O)CCCCl

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=CC=[N+]2[O-])C(=O)CCCCl

InChI

InChI=1S/C15H17ClN2O3/c1-21-13-6-4-12(5-7-13)11-17-14(8-10-18(17)20)15(19)3-2-9-16/h4-8,10H,2-3,9,11H2,1H3