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

Systemtic Name: 5-ethoxy-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxidanidyl-1H-pyrazin-4-ium-2-one Openeye Name: 5-ethoxy-6-(1H-indol-3-ylmethyl)-3-isobutyl-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 5-ethoxy-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one IUPAC Name: 5-ethoxy-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 5-ethoxy-6-(1H-indol-3-ylmethyl)-3-isobutyl-4-oxido-1H-pyrazin-4-ium-2-one Formula: C19H23N3O3 MolecularWeight: 341.40422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(NC(=O)C(=[N+]1[O-])CC(C)C)CC2=CNC3=CC=CC=C32

Isomeric SMILES

CCOC1=C(NC(=O)C(=[N+]1[O-])CC(C)C)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C19H23N3O3/c1-4-25-19-16(21-18(23)17(22(19)24)9-12(2)3)10-13-11-20-15-8-6-5-7-14(13)15/h5-8,11-12,20H,4,9-10H2,1-3H3,(H,21,23)