2-butoxy-3-(iodanylmethyl)-6-(2-methylpropyl)-1-oxidanidyl-5-phenylmethoxy-pyrazin-1-ium

Systemtic Name: 2-butoxy-3-(iodanylmethyl)-6-(2-methylpropyl)-1-oxidanidyl-5-phenylmethoxy-pyrazin-1-ium Openeye Name: 5-benzyloxy-2-butoxy-3-(iodomethyl)-6-isobutyl-1-oxido-pyrazin-1-ium CAS Name: 2-butoxy-3-(iodomethyl)-6-(2-methylpropyl)-1-oxido-5-phenylmethoxypyrazin-1-ium IUPAC Name: 2-butoxy-3-(iodomethyl)-6-(2-methylpropyl)-1-oxido-5-phenylmethoxypyrazin-1-ium Traditional Name: 5-benzoxy-2-butoxy-3-(iodomethyl)-6-isobutyl-1-oxido-pyrazin-1-ium Formula: C20H27IN2O3 MolecularWeight: 470.34445

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N=C(C(=[N+]1[O-])CC(C)C)OCC2=CC=CC=C2)CI

Isomeric SMILES

CCCCOC1=C(N=C(C(=[N+]1[O-])CC(C)C)OCC2=CC=CC=C2)CI

InChI

InChI=1S/C20H27IN2O3/c1-4-5-11-25-20-17(13-21)22-19(18(23(20)24)12-15(2)3)26-14-16-9-7-6-8-10-16/h6-10,15H,4-5,11-14H2,1-3H3