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

Systemtic Name: tert-butyl 3-[[3-methoxy-5-methyl-6-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-yl]methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(6-isobutyl-3-methoxy-5-methyl-4-oxido-pyrazin-4-ium-2-yl)methyl]indole-1-carboxylate CAS Name: 3-[[3-methoxy-5-methyl-6-(2-methylpropyl)-4-oxido-2-pyrazin-4-iumyl]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3-methoxy-5-methyl-6-(2-methylpropyl)-4-oxidopyrazin-4-ium-2-yl]methyl]indole-1-carboxylate Traditional Name: 3-[(6-isobutyl-3-methoxy-5-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(=[N+]1[O-])OC)CC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)CC(C)C

Isomeric SMILES

CC1=C(N=C(C(=[N+]1[O-])OC)CC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)CC(C)C

InChI

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