2-methoxy-6-(2-methylpropyl)-3-(oxan-2-yloxymethyl)-1-oxidanidyl-5-phenylmethoxy-pyrazin-1-ium

Systemtic Name: 2-methoxy-6-(2-methylpropyl)-3-(oxan-2-yloxymethyl)-1-oxidanidyl-5-phenylmethoxy-pyrazin-1-ium Openeye Name: 3-benzyloxy-2-isobutyl-6-methoxy-1-oxido-5-(tetrahydropyran-2-yloxymethyl)pyrazin-1-ium CAS Name: 2-methoxy-6-(2-methylpropyl)-3-(2-oxanyloxymethyl)-1-oxido-5-phenylmethoxypyrazin-1-ium IUPAC Name: 2-methoxy-6-(2-methylpropyl)-3-(oxan-2-yloxymethyl)-1-oxido-5-phenylmethoxypyrazin-1-ium Traditional Name: 3-benzoxy-2-isobutyl-6-methoxy-1-oxido-5-(tetrahydropyran-2-yloxymethyl)pyrazin-1-ium Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)COC3CCCCO3)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)COC3CCCCO3)OC)[O-]

InChI

InChI=1S/C22H30N2O5/c1-16(2)13-19-21(29-14-17-9-5-4-6-10-17)23-18(22(26-3)24(19)25)15-28-20-11-7-8-12-27-20/h4-6,9-10,16,20H,7-8,11-15H2,1-3H3