3-(2-methylpropyl)-2-oxidanidyl-1-(phenylmethyl)pyrazol-2-ium

Systemtic Name: 3-(2-methylpropyl)-2-oxidanidyl-1-(phenylmethyl)pyrazol-2-ium Openeye Name: 1-benzyl-3-isobutyl-2-oxido-pyrazol-2-ium CAS Name: 3-(2-methylpropyl)-2-oxido-1-(phenylmethyl)pyrazol-2-ium IUPAC Name: 1-benzyl-3-(2-methylpropyl)-2-oxidopyrazol-2-ium Traditional Name: 1-benzyl-3-isobutyl-2-oxido-pyrazol-2-ium Formula: C14H18N2O MolecularWeight: 230.30552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](N(C=C1)CC2=CC=CC=C2)[O-]

Isomeric SMILES

CC(C)CC1=[N+](N(C=C1)CC2=CC=CC=C2)[O-]

InChI

InChI=1S/C14H18N2O/c1-12(2)10-14-8-9-15(16(14)17)11-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3