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

Systemtic Name: 6-ethyl-5-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-1-oxidanidyl-2,4-dihydro-1H-pyrazin-1-ium-3-one Openeye Name: 6-ethyl-5-(1H-indol-3-ylmethyl)-2-isobutyl-1-oxido-2,4-dihydro-1H-pyrazin-1-ium-3-one CAS Name: 6-ethyl-5-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-1-oxido-2,4-dihydro-1H-pyrazin-1-ium-3-one IUPAC Name: 6-ethyl-5-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-1-oxido-2,4-dihydro-1H-pyrazin-1-ium-3-one Traditional Name: 6-ethyl-5-(1H-indol-3-ylmethyl)-2-isobutyl-1-oxido-2,4-dihydro-1H-pyrazin-1-ium-3-one Formula: C19H25N3O2 MolecularWeight: 327.4207

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=O)C([NH+]1[O-])CC(C)C)CC2=CNC3=CC=CC=C32

Isomeric SMILES

CCC1=C(NC(=O)C([NH+]1[O-])CC(C)C)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C19H25N3O2/c1-4-17-16(21-19(23)18(22(17)24)9-12(2)3)10-13-11-20-15-8-6-5-7-14(13)15/h5-8,11-12,18,20,22H,4,9-10H2,1-3H3,(H,21,23)