5,6-dimethoxy-3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxidanidyl-2H-pyrazin-4-ium-1-yl]-1H-indole

Systemtic Name: 5,6-dimethoxy-3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxidanidyl-2H-pyrazin-4-ium-1-yl]-1H-indole Openeye Name: 3-(5-isobutyl-3-methoxy-6-methyl-4-oxido-2H-pyrazin-4-ium-1-yl)-5,6-dimethoxy-1H-indole CAS Name: 5,6-dimethoxy-3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxido-2H-pyrazin-4-ium-1-yl]-1H-indole IUPAC Name: 5,6-dimethoxy-3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxido-2H-pyrazin-4-ium-1-yl]-1H-indole Traditional Name: 3-(5-isobutyl-3-methoxy-6-methyl-4-oxido-2H-pyrazin-4-ium-1-yl)-5,6-dimethoxy-1H-indole Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C(CN1C2=CNC3=CC(=C(C=C32)OC)OC)OC)[O-])CC(C)C

Isomeric SMILES

CC1=C([N+](=C(CN1C2=CNC3=CC(=C(C=C32)OC)OC)OC)[O-])CC(C)C

InChI

InChI=1S/C20H27N3O4/c1-12(2)7-16-13(3)22(11-20(27-6)23(16)24)17-10-21-15-9-19(26-5)18(25-4)8-14(15)17/h8-10,12,21H,7,11H2,1-6H3