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

Systemtic Name: 2-chloranyl-3-(iodanylmethyl)-6-(2-methylpropyl)-1-oxidanidyl-5-phenylmethoxy-pyrazin-1-ium Openeye Name: 5-benzyloxy-2-chloro-3-(iodomethyl)-6-isobutyl-1-oxido-pyrazin-1-ium CAS Name: 2-chloro-3-(iodomethyl)-6-(2-methylpropyl)-1-oxido-5-phenylmethoxypyrazin-1-ium IUPAC Name: 2-chloro-3-(iodomethyl)-6-(2-methylpropyl)-1-oxido-5-phenylmethoxypyrazin-1-ium Traditional Name: 5-benzoxy-2-chloro-3-(iodomethyl)-6-isobutyl-1-oxido-pyrazin-1-ium Formula: C16H18ClIN2O2 MolecularWeight: 432.68379

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CI)Cl)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CI)Cl)[O-]

InChI

InChI=1S/C16H18ClIN2O2/c1-11(2)8-14-16(19-13(9-18)15(17)20(14)21)22-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3