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

Systemtic Name: 2-chloranyl-6-(2-methylpropyl)-3-(oxan-2-yloxymethyl)-1-oxidanidyl-5-phenylmethoxy-pyrazin-1-ium Openeye Name: 5-benzyloxy-2-chloro-6-isobutyl-1-oxido-3-(tetrahydropyran-2-yloxymethyl)pyrazin-1-ium CAS Name: 2-chloro-6-(2-methylpropyl)-3-(2-oxanyloxymethyl)-1-oxido-5-phenylmethoxypyrazin-1-ium IUPAC Name: 2-chloro-6-(2-methylpropyl)-3-(oxan-2-yloxymethyl)-1-oxido-5-phenylmethoxypyrazin-1-ium Traditional Name: 5-benzoxy-2-chloro-6-isobutyl-1-oxido-3-(tetrahydropyran-2-yloxymethyl)pyrazin-1-ium Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O4/c1-15(2)12-18-21(28-13-16-8-4-3-5-9-16)23-17(20(22)24(18)25)14-27-19-10-6-7-11-26-19/h3-5,8-9,15,19H,6-7,10-14H2,1-2H3