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

Systemtic Name: [5-(2-methylpropyl)-4-oxidanidyl-3-phenethyloxy-6-phenylmethoxy-pyrazin-4-ium-2-yl]methanol Openeye Name: (6-benzyloxy-5-isobutyl-4-oxido-3-phenethyloxy-pyrazin-4-ium-2-yl)methanol CAS Name: [5-(2-methylpropyl)-4-oxido-3-phenethyloxy-6-phenylmethoxy-2-pyrazin-4-iumyl]methanol IUPAC Name: [5-(2-methylpropyl)-4-oxido-3-phenethyloxy-6-phenylmethoxypyrazin-4-ium-2-yl]methanol Traditional Name: (6-benzoxy-5-isobutyl-4-oxido-3-phenethyloxy-pyrazin-4-ium-2-yl)methanol Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4/c1-18(2)15-22-23(30-17-20-11-7-4-8-12-20)25-21(16-27)24(26(22)28)29-14-13-19-9-5-3-6-10-19/h3-12,18,27H,13-17H2,1-2H3