tert-butyl 3-[[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-yl]methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-yl]methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(5-isobutyl-3-methoxy-6-methyl-4-oxido-pyrazin-4-ium-2-yl)methyl]indole-1-carboxylate CAS Name: 3-[[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxido-2-pyrazin-4-iumyl]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxidopyrazin-4-ium-2-yl]methyl]indole-1-carboxylate Traditional Name: 3-[(5-isobutyl-3-methoxy-6-methyl-4-oxido-pyrazin-4-ium-2-yl)methyl]indole-1-carboxylic acid tert-butyl ester Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C(C(=N1)CC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)OC)[O-])CC(C)C

Isomeric SMILES

CC1=C([N+](=C(C(=N1)CC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)OC)[O-])CC(C)C

InChI

InChI=1S/C24H31N3O4/c1-15(2)12-21-16(3)25-19(22(30-7)27(21)29)13-17-14-26(23(28)31-24(4,5)6)20-11-9-8-10-18(17)20/h8-11,14-15H,12-13H2,1-7H3