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

Systemtic Name: 6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxidanidyl-1H-pyrazin-4-ium-2-one Openeye Name: 6-(1H-indol-3-ylmethyl)-3-isobutyl-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one IUPAC Name: 6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 6-(1H-indol-3-ylmethyl)-3-isobutyl-4-oxido-1H-pyrazin-4-ium-2-one Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2/c1-11(2)7-16-17(21)19-13(10-20(16)22)8-12-9-18-15-6-4-3-5-14(12)15/h3-6,9-11,18H,7-8H2,1-2H3,(H,19,21)