6-(5-bromanyl-1H-indol-3-yl)-5-methoxy-1-methyl-3-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-one

Systemtic Name: 6-(5-bromanyl-1H-indol-3-yl)-5-methoxy-1-methyl-3-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-one Openeye Name: 6-(5-bromo-1H-indol-3-yl)-3-isobutyl-5-methoxy-1-methyl-4-oxido-pyrazin-4-ium-2-one CAS Name: 6-(5-bromo-1H-indol-3-yl)-5-methoxy-1-methyl-3-(2-methylpropyl)-4-oxido-2-pyrazin-4-iumone IUPAC Name: 6-(5-bromo-1H-indol-3-yl)-5-methoxy-1-methyl-3-(2-methylpropyl)-4-oxidopyrazin-4-ium-2-one Traditional Name: 6-(5-bromo-1H-indol-3-yl)-3-isobutyl-5-methoxy-1-methyl-4-oxido-pyrazin-4-ium-2-one Formula: C18H20BrN3O3 MolecularWeight: 406.2737

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N(C1=O)C)C2=CNC3=C2C=C(C=C3)Br)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N(C1=O)C)C2=CNC3=C2C=C(C=C3)Br)OC)[O-]

InChI

InChI=1S/C18H20BrN3O3/c1-10(2)7-15-17(23)21(3)16(18(25-4)22(15)24)13-9-20-14-6-5-11(19)8-12(13)14/h5-6,8-10,20H,7H2,1-4H3