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

Systemtic Name: 3-(cyclohexylmethyl)-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxidanidyl-1H-pyrazin-4-ium-2-one Openeye Name: 3-(cyclohexylmethyl)-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 3-(cyclohexylmethyl)-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one IUPAC Name: 3-(cyclohexylmethyl)-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 3-(cyclohexylmethyl)-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one Formula: C21H25N3O3 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(NC(=O)C(=[N+]1[O-])CC2CCCCC2)CC3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=C(NC(=O)C(=[N+]1[O-])CC2CCCCC2)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H25N3O3/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/h5-6,9-10,13-14,22H,2-4,7-8,11-12H2,1H3,(H,23,25)