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

Systemtic Name: 3-cyclohexyl-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxidanidyl-1H-pyrazin-4-ium-2-one Openeye Name: 3-cyclohexyl-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 3-cyclohexyl-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one IUPAC Name: 3-cyclohexyl-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 3-cyclohexyl-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(NC(=O)C(=[N+]1[O-])C2CCCCC2)CC3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=C(NC(=O)C(=[N+]1[O-])C2CCCCC2)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H23N3O3/c1-26-20-17(11-14-12-21-16-10-6-5-9-15(14)16)22-19(24)18(23(20)25)13-7-3-2-4-8-13/h5-6,9-10,12-13,21H,2-4,7-8,11H2,1H3,(H,22,24)