3-[[5-(2-methylpropyl)-4-oxidanidyl-3-phenethyloxy-6-phenylmethoxy-pyrazin-4-ium-2-yl]methyl]-1H-indole

Systemtic Name: 3-[[5-(2-methylpropyl)-4-oxidanidyl-3-phenethyloxy-6-phenylmethoxy-pyrazin-4-ium-2-yl]methyl]-1H-indole Openeye Name: 3-[(6-benzyloxy-5-isobutyl-4-oxido-3-phenethyloxy-pyrazin-4-ium-2-yl)methyl]-1H-indole CAS Name: 3-[[5-(2-methylpropyl)-4-oxido-3-phenethyloxy-6-phenylmethoxy-2-pyrazin-4-iumyl]methyl]-1H-indole IUPAC Name: 3-[[5-(2-methylpropyl)-4-oxido-3-phenethyloxy-6-phenylmethoxypyrazin-4-ium-2-yl]methyl]-1H-indole Traditional Name: 3-[(6-benzoxy-5-isobutyl-4-oxido-3-phenethyloxy-pyrazin-4-ium-2-yl)methyl]-1H-indole Formula: C32H33N3O3 MolecularWeight: 507.62272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)OCCC5=CC=CC=C5)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)OCCC5=CC=CC=C5)[O-]

InChI

InChI=1S/C32H33N3O3/c1-23(2)19-30-31(38-22-25-13-7-4-8-14-25)34-29(20-26-21-33-28-16-10-9-15-27(26)28)32(35(30)36)37-18-17-24-11-5-3-6-12-24/h3-16,21,23,33H,17-20,22H2,1-2H3