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

Systemtic Name: 5-butoxy-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxidanidyl-1H-pyrazin-4-ium-2-one Openeye Name: 5-butoxy-6-(1H-indol-3-ylmethyl)-3-isobutyl-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 5-butoxy-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one IUPAC Name: 5-butoxy-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 5-butoxy-6-(1H-indol-3-ylmethyl)-3-isobutyl-4-oxido-1H-pyrazin-4-ium-2-one Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(NC(=O)C(=[N+]1[O-])CC(C)C)CC2=CNC3=CC=CC=C32

Isomeric SMILES

CCCCOC1=C(NC(=O)C(=[N+]1[O-])CC(C)C)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H27N3O3/c1-4-5-10-27-21-18(23-20(25)19(24(21)26)11-14(2)3)12-15-13-22-17-9-7-6-8-16(15)17/h6-9,13-14,22H,4-5,10-12H2,1-3H3,(H,23,25)