6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxidanidyl-5-phenethyloxy-1H-pyrazin-4-ium-2-one

Systemtic Name: 6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxidanidyl-5-phenethyloxy-1H-pyrazin-4-ium-2-one Openeye Name: 6-(1H-indol-3-ylmethyl)-3-isobutyl-4-oxido-5-phenethyloxy-1H-pyrazin-4-ium-2-one CAS Name: 6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-5-phenethyloxy-1H-pyrazin-4-ium-2-one IUPAC Name: 6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-5-phenethyloxy-1H-pyrazin-4-ium-2-one Traditional Name: 6-(1H-indol-3-ylmethyl)-3-isobutyl-4-oxido-5-phenethyloxy-1H-pyrazin-4-ium-2-one Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(NC1=O)CC2=CNC3=CC=CC=C32)OCCC4=CC=CC=C4)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(NC1=O)CC2=CNC3=CC=CC=C32)OCCC4=CC=CC=C4)[O-]

InChI

InChI=1S/C25H27N3O3/c1-17(2)14-23-24(29)27-22(15-19-16-26-21-11-7-6-10-20(19)21)25(28(23)30)31-13-12-18-8-4-3-5-9-18/h3-11,16-17,26H,12-15H2,1-2H3,(H,27,29)