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

Systemtic Name: 2-cyclohexyloxy-3-(iodanylmethyl)-6-(2-methylpropyl)-1-oxidanidyl-5-phenylmethoxy-pyrazin-1-ium Openeye Name: 5-benzyloxy-2-(cyclohexoxy)-3-(iodomethyl)-6-isobutyl-1-oxido-pyrazin-1-ium CAS Name: 2-cyclohexyloxy-3-(iodomethyl)-6-(2-methylpropyl)-1-oxido-5-phenylmethoxypyrazin-1-ium IUPAC Name: 2-cyclohexyloxy-3-(iodomethyl)-6-(2-methylpropyl)-1-oxido-5-phenylmethoxypyrazin-1-ium Traditional Name: 5-benzoxy-2-(cyclohexoxy)-3-(iodomethyl)-6-isobutyl-1-oxido-pyrazin-1-ium Formula: C22H29IN2O3 MolecularWeight: 496.38173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CI)OC3CCCCC3)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CI)OC3CCCCC3)[O-]

InChI

InChI=1S/C22H29IN2O3/c1-16(2)13-20-21(27-15-17-9-5-3-6-10-17)24-19(14-23)22(25(20)26)28-18-11-7-4-8-12-18/h3,5-6,9-10,16,18H,4,7-8,11-15H2,1-2H3