3-[(4-hydroxyphenyl)methyl]-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxidanidyl-1H-pyrazin-4-ium-2-one

Systemtic Name: 3-[(4-hydroxyphenyl)methyl]-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxidanidyl-1H-pyrazin-4-ium-2-one Openeye Name: 3-[(4-hydroxyphenyl)methyl]-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 3-[(4-hydroxyphenyl)methyl]-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one IUPAC Name: 3-[(4-hydroxyphenyl)methyl]-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 3-(4-hydroxybenzyl)-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4/c1-28-21-18(11-14-12-22-17-5-3-2-4-16(14)17)23-20(26)19(24(21)27)10-13-6-8-15(25)9-7-13/h2-9,12,22,25H,10-11H2,1H3,(H,23,26)