tert-butyl [6-(1H-indol-3-ylmethyl)-5-methoxy-3-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-yl] carbonate

Systemtic Name: tert-butyl [6-(1H-indol-3-ylmethyl)-5-methoxy-3-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-yl] carbonate Openeye Name: tert-butyl [6-(1H-indol-3-ylmethyl)-3-isobutyl-5-methoxy-4-oxido-pyrazin-4-ium-2-yl] carbonate CAS Name: carbonic acid tert-butyl [6-(1H-indol-3-ylmethyl)-5-methoxy-3-(2-methylpropyl)-4-oxido-2-pyrazin-4-iumyl] ester IUPAC Name: tert-butyl [6-(1H-indol-3-ylmethyl)-5-methoxy-3-(2-methylpropyl)-4-oxidopyrazin-4-ium-2-yl] carbonate Traditional Name: carbonic acid tert-butyl [6-(1H-indol-3-ylmethyl)-3-isobutyl-5-methoxy-4-oxido-pyrazin-4-ium-2-yl] ester Formula: C23H29N3O5 MolecularWeight: 427.49346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OC(=O)OC(C)(C)C)CC2=CNC3=CC=CC=C32)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OC(=O)OC(C)(C)C)CC2=CNC3=CC=CC=C32)OC)[O-]

InChI

InChI=1S/C23H29N3O5/c1-14(2)11-19-20(30-22(27)31-23(3,4)5)25-18(21(29-6)26(19)28)12-15-13-24-17-10-8-7-9-16(15)17/h7-10,13-14,24H,11-12H2,1-6H3