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

Systemtic Name: 5-(iodanylmethyl)-2-(2-methylpropyl)-1-oxidanidyl-6-phenethyloxy-3-phenylmethoxy-pyrazin-1-ium Openeye Name: 3-benzyloxy-5-(iodomethyl)-2-isobutyl-1-oxido-6-phenethyloxy-pyrazin-1-ium CAS Name: 5-(iodomethyl)-2-(2-methylpropyl)-1-oxido-6-phenethyloxy-3-phenylmethoxypyrazin-1-ium IUPAC Name: 5-(iodomethyl)-2-(2-methylpropyl)-1-oxido-6-phenethyloxy-3-phenylmethoxypyrazin-1-ium Traditional Name: 3-benzoxy-5-(iodomethyl)-2-isobutyl-1-oxido-6-phenethyloxy-pyrazin-1-ium Formula: C24H27IN2O3 MolecularWeight: 518.38725

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CI)OCCC3=CC=CC=C3)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CI)OCCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C24H27IN2O3/c1-18(2)15-22-23(30-17-20-11-7-4-8-12-20)26-21(16-25)24(27(22)28)29-14-13-19-9-5-3-6-10-19/h3-12,18H,13-17H2,1-2H3