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

Systemtic Name: 6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxidanidyl-3-phenethyl-1H-pyrazin-4-ium-2-one Openeye Name: 6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-3-phenethyl-1H-pyrazin-4-ium-2-one CAS Name: 6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-3-phenethyl-1H-pyrazin-4-ium-2-one IUPAC Name: 6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-3-phenethyl-1H-pyrazin-4-ium-2-one Traditional Name: 6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-3-phenethyl-1H-pyrazin-4-ium-2-one Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(NC(=O)C(=[N+]1[O-])CCC2=CC=CC=C2)CC3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=C(NC(=O)C(=[N+]1[O-])CCC2=CC=CC=C2)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O3/c1-28-22-19(13-16-14-23-18-10-6-5-9-17(16)18)24-21(26)20(25(22)27)12-11-15-7-3-2-4-8-15/h2-10,14,23H,11-13H2,1H3,(H,24,26)