[3-butoxy-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methanol

Systemtic Name: [3-butoxy-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methanol Openeye Name: (6-benzyloxy-3-butoxy-5-isobutyl-4-oxido-pyrazin-4-ium-2-yl)methanol CAS Name: [3-butoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumyl]methanol IUPAC Name: [3-butoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxypyrazin-4-ium-2-yl]methanol Traditional Name: (6-benzoxy-3-butoxy-5-isobutyl-4-oxido-pyrazin-4-ium-2-yl)methanol Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N=C(C(=[N+]1[O-])CC(C)C)OCC2=CC=CC=C2)CO

Isomeric SMILES

CCCCOC1=C(N=C(C(=[N+]1[O-])CC(C)C)OCC2=CC=CC=C2)CO

InChI

InChI=1S/C20H28N2O4/c1-4-5-11-25-20-17(13-23)21-19(18(22(20)24)12-15(2)3)26-14-16-9-7-6-8-10-16/h6-10,15,23H,4-5,11-14H2,1-3H3