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

Systemtic Name: 5-(iodanylmethyl)-2-(2-methylpropyl)-1-oxidanidyl-3-phenylmethoxy-6-propan-2-yloxy-pyrazin-1-ium Openeye Name: 3-benzyloxy-5-(iodomethyl)-2-isobutyl-6-isopropoxy-1-oxido-pyrazin-1-ium CAS Name: 5-(iodomethyl)-2-(2-methylpropyl)-1-oxido-3-phenylmethoxy-6-propan-2-yloxypyrazin-1-ium IUPAC Name: 5-(iodomethyl)-2-(2-methylpropyl)-1-oxido-3-phenylmethoxy-6-propan-2-yloxypyrazin-1-ium Traditional Name: 3-benzoxy-5-(iodomethyl)-2-isobutyl-6-isopropoxy-1-oxido-pyrazin-1-ium Formula: C19H25IN2O3 MolecularWeight: 456.31787

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25IN2O3/c1-13(2)10-17-18(24-12-15-8-6-5-7-9-15)21-16(11-20)19(22(17)23)25-14(3)4/h5-9,13-14H,10-12H2,1-4H3