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

Systemtic Name: 3-ethyl-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxidanidyl-1H-pyrazin-4-ium-2-one Openeye Name: 3-ethyl-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 3-ethyl-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one IUPAC Name: 3-ethyl-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 3-ethyl-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C(=C(NC1=O)CC2=CNC3=CC=CC=C32)OC)[O-]

Isomeric SMILES

CCC1=[N+](C(=C(NC1=O)CC2=CNC3=CC=CC=C32)OC)[O-]

InChI

InChI=1S/C16H17N3O3/c1-3-14-15(20)18-13(16(22-2)19(14)21)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,9,17H,3,8H2,1-2H3,(H,18,20)