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

Systemtic Name: 6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxidanidyl-3-(phenylmethyl)-1H-pyrazin-4-ium-2-one Openeye Name: 3-benzyl-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-3-(phenylmethyl)-1H-pyrazin-4-ium-2-one IUPAC Name: 3-benzyl-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 3-benzyl-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(NC(=O)C(=[N+]1[O-])CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=C(NC(=O)C(=[N+]1[O-])CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H19N3O3/c1-27-21-18(12-15-13-22-17-10-6-5-9-16(15)17)23-20(25)19(24(21)26)11-14-7-3-2-4-8-14/h2-10,13,22H,11-12H2,1H3,(H,23,25)